REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mb9_1_A DATA FIRST_RESID 4 DATA SEQUENCE PVLPAAFGFL ASARTGXXXA PGPVFATRGS HTDIDTPQGE RSLAATLVHA DATA SEQUENCE PSVAPDRAVA RSLTGAPTTA VLAGEIYNRD ELLSVLPAGP APEGDAELVL DATA SEQUENCE RLLERYDLHA FRLVNGRFAT VVRTGDRVLL ATDHAGSVPL YTCVAPGEVR DATA SEQUENCE ASTEAKALAA XXXXXXFPLA DARRVAGLTG VYQVPAGAVM DIDLGSGTAV DATA SEQUENCE THRTWTPGLS RRILPEGEAV AAVRAALEKA VAQRVTPGDT PLVVLSGGID DATA SEQUENCE SSGVAACAHR AAGELDTVSM GTDTSNEFRE ARAVVDHLRT RHREITIPTT DATA SEQUENCE ELLAQLPYAV WASESVDPDI IEYLLPLTAL YRALDGPERR ILTGYGADIP DATA SEQUENCE LGGMHREDRL PALDTVLAHD MATFDGLNEM SPVLSTLAGH WTTHPYWDRE DATA SEQUENCE VLDLLVSLEA GLKRRHGRDK WVLRAAMADA LPAETVNRPK XXXXXXXXXX DATA SEQUENCE SSFSRLLLDH GVAEDRVHEA KRQVVRELFD LTVGGGRHPS EVDTDDVVRS DATA SEQUENCE VADR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.286 177.300 -0.023 0.000 1.155 4 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 4 P CB 0.000 31.687 31.700 -0.022 0.000 0.726 5 V N 0.504 120.415 119.914 -0.006 0.000 2.548 5 V HA 0.025 4.145 4.120 -0.000 0.000 0.249 5 V C 1.242 177.341 176.094 0.008 0.000 1.055 5 V CA 1.172 63.489 62.300 0.028 0.000 1.065 5 V CB -0.259 31.598 31.823 0.057 0.000 0.681 5 V HN 0.178 nan 8.190 nan 0.000 0.462 6 L N -0.485 120.700 121.223 -0.065 0.000 2.333 6 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 6 L C -2.501 174.155 176.870 -0.356 0.000 1.010 6 L CA -2.051 52.682 54.840 -0.179 0.000 0.818 6 L CB 1.192 43.198 42.059 -0.089 0.000 1.306 6 L HN -0.058 nan 8.230 nan 0.000 0.430 7 P HA 0.018 nan 4.420 nan 0.000 0.268 7 P C 0.164 177.172 177.300 -0.487 0.000 1.208 7 P CA -0.053 62.687 63.100 -0.599 0.000 0.777 7 P CB 0.753 31.909 31.700 -0.906 0.000 0.875 8 A N 1.697 124.310 122.820 -0.345 0.000 2.024 8 A HA 0.196 4.516 4.320 -0.000 0.000 0.220 8 A C 0.988 178.372 177.584 -0.334 0.000 1.164 8 A CA 1.952 53.811 52.037 -0.297 0.000 0.643 8 A CB -0.749 18.121 19.000 -0.218 0.000 0.806 8 A HN 0.667 nan 8.150 nan 0.000 0.451 9 A N -3.065 119.558 122.820 -0.329 0.000 2.594 9 A HA 0.655 4.975 4.320 -0.000 0.000 0.295 9 A C -0.182 177.254 177.584 -0.246 0.000 1.071 9 A CA -0.564 51.325 52.037 -0.247 0.000 0.685 9 A CB 0.266 19.230 19.000 -0.060 0.000 1.285 9 A HN 0.094 nan 8.150 nan 0.000 0.405 10 F N 0.968 120.893 119.950 -0.042 0.000 2.374 10 F HA 0.449 4.976 4.527 -0.000 0.000 0.291 10 F C 1.608 177.359 175.800 -0.082 0.000 1.084 10 F CA 0.746 58.725 58.000 -0.035 0.000 1.413 10 F CB 0.197 39.194 39.000 -0.005 0.000 1.099 10 F HN 0.897 nan 8.300 nan 0.000 0.534 11 G N -1.254 107.541 108.800 -0.008 0.000 2.634 11 G HA2 0.520 4.480 3.960 -0.000 0.000 0.309 11 G HA3 0.520 4.480 3.960 -0.000 0.000 0.309 11 G C -1.873 172.866 174.900 -0.267 0.000 1.299 11 G CA -0.280 44.638 45.100 -0.304 0.000 0.798 11 G HN 0.048 nan 8.290 nan 0.000 0.490 12 F N -2.475 117.303 119.950 -0.288 0.000 2.842 12 F HA 0.767 5.293 4.527 -0.000 0.000 0.319 12 F C -2.318 173.593 175.800 0.186 0.000 1.159 12 F CA -1.462 56.495 58.000 -0.072 0.000 0.902 12 F CB 1.435 40.438 39.000 0.005 0.000 1.311 12 F HN 0.774 nan 8.300 nan 0.000 0.453 13 L N 2.229 123.856 121.223 0.673 0.000 2.404 13 L HA 0.962 5.302 4.340 -0.000 0.000 0.272 13 L C -1.155 175.941 176.870 0.376 0.000 0.980 13 L CA -0.541 54.601 54.840 0.503 0.000 0.836 13 L CB 1.103 43.369 42.059 0.345 0.000 1.238 13 L HN 1.274 nan 8.230 nan 0.000 0.408 14 A N 3.098 126.119 122.820 0.335 0.000 2.384 14 A HA 0.919 5.239 4.320 -0.000 0.000 0.312 14 A C -0.954 176.702 177.584 0.121 0.000 1.113 14 A CA -0.500 51.626 52.037 0.149 0.000 0.779 14 A CB 1.887 20.889 19.000 0.002 0.000 1.307 14 A HN 0.687 nan 8.150 nan 0.000 0.436 15 S N -0.422 115.321 115.700 0.071 0.000 2.575 15 S HA 0.670 5.140 4.470 -0.000 0.000 0.278 15 S C -0.862 173.761 174.600 0.039 0.000 1.139 15 S CA 0.166 58.404 58.200 0.064 0.000 0.954 15 S CB 1.218 64.456 63.200 0.063 0.000 1.054 15 S HN 1.926 nan 8.310 nan 0.000 0.483 16 A N 5.360 128.202 122.820 0.037 0.000 2.291 16 A HA 0.780 5.100 4.320 -0.000 0.000 0.311 16 A C -0.415 177.183 177.584 0.022 0.000 1.224 16 A CA -0.741 51.310 52.037 0.023 0.000 0.821 16 A CB 0.647 19.658 19.000 0.019 0.000 1.172 16 A HN 0.682 nan 8.150 nan 0.000 0.494 17 R N 2.079 122.590 120.500 0.017 0.000 2.393 17 R HA 0.299 4.639 4.340 -0.000 0.000 0.315 17 R C 0.583 176.888 176.300 0.008 0.000 0.952 17 R CA -0.338 55.771 56.100 0.016 0.000 0.842 17 R CB 1.552 31.864 30.300 0.020 0.000 1.163 17 R HN 0.752 nan 8.270 nan 0.000 0.450 18 T N 0.575 115.131 114.554 0.004 0.000 3.035 18 T HA 0.062 4.412 4.350 -0.000 0.000 0.268 18 T C 0.751 175.452 174.700 0.002 0.000 1.109 18 T CA 1.284 63.384 62.100 -0.000 0.000 1.119 18 T CB 0.238 69.101 68.868 -0.007 0.000 0.900 18 T HN 0.732 nan 8.240 nan 0.000 0.503 24 P HA 0.553 nan 4.420 nan 0.000 0.276 24 P C 0.502 177.805 177.300 0.006 0.000 1.244 24 P CA 0.101 63.208 63.100 0.011 0.000 0.801 24 P CB 0.795 32.496 31.700 0.003 0.000 1.006 25 G N 2.483 111.288 108.800 0.008 0.000 2.380 25 G HA2 0.322 4.282 3.960 -0.000 0.000 0.242 25 G HA3 0.322 4.282 3.960 -0.000 0.000 0.242 25 G C -1.958 172.917 174.900 -0.041 0.000 1.298 25 G CA -0.645 44.462 45.100 0.012 0.000 0.878 25 G HN 0.520 nan 8.290 nan 0.000 0.542 26 P HA 0.397 nan 4.420 nan 0.000 0.279 26 P C -0.915 176.192 177.300 -0.322 0.000 1.252 26 P CA -0.515 62.379 63.100 -0.343 0.000 0.811 26 P CB 1.937 33.223 31.700 -0.690 0.000 1.035 27 V N 2.646 122.331 119.914 -0.381 0.000 2.380 27 V HA 0.296 4.416 4.120 -0.000 0.000 0.286 27 V C -0.197 175.774 176.094 -0.204 0.000 1.015 27 V CA -0.298 61.912 62.300 -0.150 0.000 0.834 27 V CB 0.331 32.146 31.823 -0.014 0.000 1.009 27 V HN 0.378 nan 8.190 nan 0.000 0.428 28 F N 1.811 121.842 119.950 0.135 0.000 2.461 28 F HA 0.708 5.234 4.527 -0.000 0.000 0.332 28 F C 1.286 177.028 175.800 -0.097 0.000 1.073 28 F CA -0.406 57.584 58.000 -0.017 0.000 1.017 28 F CB 1.515 40.508 39.000 -0.011 0.000 1.301 28 F HN 0.437 nan 8.300 nan 0.000 0.492 29 A N -0.495 122.207 122.820 -0.198 0.000 2.095 29 A HA 0.129 4.449 4.320 -0.000 0.000 0.212 29 A C 0.853 178.299 177.584 -0.230 0.000 1.162 29 A CA 0.371 51.925 52.037 -0.806 0.000 0.753 29 A CB -0.790 17.290 19.000 -1.534 0.000 0.840 29 A HN 0.633 nan 8.150 nan 0.000 0.468 30 T N 1.394 115.893 114.554 -0.092 0.000 2.888 30 T HA 0.233 4.583 4.350 -0.000 0.000 0.301 30 T C 0.267 175.031 174.700 0.107 0.000 1.001 30 T CA -0.022 62.048 62.100 -0.051 0.000 1.147 30 T CB 0.379 69.180 68.868 -0.112 0.000 0.931 30 T HN 0.434 nan 8.240 nan 0.000 0.541 31 R N 1.766 122.314 120.500 0.080 0.000 2.297 31 R HA 0.588 4.928 4.340 -0.000 0.000 0.308 31 R C 0.176 176.581 176.300 0.175 0.000 1.029 31 R CA -0.082 56.102 56.100 0.140 0.000 0.929 31 R CB 0.300 30.659 30.300 0.098 0.000 1.046 31 R HN 0.909 nan 8.270 nan 0.000 0.461 32 G N 1.380 110.285 108.800 0.176 0.000 2.343 32 G HA2 0.013 3.973 3.960 -0.000 0.000 0.289 32 G HA3 0.013 3.973 3.960 -0.000 0.000 0.289 32 G C -1.513 173.430 174.900 0.071 0.000 1.295 32 G CA -0.861 44.313 45.100 0.123 0.000 0.869 32 G HN 0.533 nan 8.290 nan 0.000 0.522 33 S N -0.178 115.433 115.700 -0.147 0.000 2.601 33 S HA 0.544 5.013 4.470 -0.000 0.000 0.271 33 S C -0.364 174.225 174.600 -0.019 0.000 1.305 33 S CA -0.264 57.831 58.200 -0.176 0.000 1.022 33 S CB 0.558 63.539 63.200 -0.365 0.000 0.940 33 S HN 0.505 nan 8.310 nan 0.000 0.525 34 H N 0.563 119.611 119.070 -0.036 0.000 2.466 34 H HA 0.442 4.998 4.556 -0.000 0.000 0.338 34 H C -0.685 174.735 175.328 0.153 0.000 1.091 34 H CA -0.637 55.474 56.048 0.105 0.000 1.207 34 H CB 1.503 31.346 29.762 0.135 0.000 1.466 34 H HN 0.429 nan 8.280 nan 0.000 0.493 35 T N 3.182 117.924 114.554 0.313 0.000 2.949 35 T HA 0.083 4.433 4.350 -0.000 0.000 0.300 35 T C -0.688 174.104 174.700 0.153 0.000 0.988 35 T CA -0.866 61.374 62.100 0.232 0.000 0.993 35 T CB 1.243 70.261 68.868 0.249 0.000 0.984 35 T HN 0.507 nan 8.240 nan 0.000 0.442 36 D N 2.936 123.407 120.400 0.119 0.000 2.308 36 D HA 0.348 4.987 4.640 -0.000 0.000 0.251 36 D C 0.760 177.090 176.300 0.050 0.000 1.127 36 D CA -0.367 53.684 54.000 0.085 0.000 0.876 36 D CB 0.597 41.443 40.800 0.077 0.000 1.176 36 D HN 0.584 nan 8.370 nan 0.000 0.446 37 I N -1.109 119.480 120.570 0.031 0.000 2.764 37 I HA 0.324 4.494 4.170 -0.000 0.000 0.294 37 I C 0.036 176.156 176.117 0.005 0.000 1.045 37 I CA -0.851 60.452 61.300 0.005 0.000 1.340 37 I CB 0.797 38.786 38.000 -0.018 0.000 1.436 37 I HN 0.064 nan 8.210 nan 0.000 0.567 38 D N 3.294 123.692 120.400 -0.002 0.000 2.400 38 D HA 0.116 4.755 4.640 -0.000 0.000 0.238 38 D C 0.262 176.561 176.300 -0.003 0.000 1.157 38 D CA 0.344 54.343 54.000 -0.001 0.000 0.889 38 D CB 0.872 41.669 40.800 -0.006 0.000 1.199 38 D HN 0.772 nan 8.370 nan 0.000 0.436 39 T N -1.886 112.668 114.554 0.000 0.000 3.327 39 T HA 0.288 4.638 4.350 -0.000 0.000 0.373 39 T C -1.646 173.053 174.700 -0.001 0.000 1.589 39 T CA -1.264 60.835 62.100 -0.000 0.000 1.497 39 T CB 1.382 70.253 68.868 0.005 0.000 1.032 39 T HN 0.109 nan 8.240 nan 0.000 0.640 40 P HA -0.132 nan 4.420 nan 0.000 0.215 40 P C 0.880 178.178 177.300 -0.004 0.000 1.153 40 P CA 1.175 64.272 63.100 -0.005 0.000 0.853 40 P CB 0.252 31.947 31.700 -0.008 0.000 0.788 41 Q N -0.181 119.617 119.800 -0.004 0.000 2.282 41 Q HA 0.289 4.629 4.340 -0.000 0.000 0.205 41 Q C 1.376 177.376 176.000 0.000 0.000 0.915 41 Q CA 0.545 56.347 55.803 -0.003 0.000 0.949 41 Q CB -0.607 28.129 28.738 -0.004 0.000 1.035 41 Q HN 0.324 nan 8.270 nan 0.000 0.484 42 G N 1.970 110.771 108.800 0.001 0.000 2.651 42 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.315 42 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.315 42 G C 0.855 175.759 174.900 0.006 0.000 1.258 42 G CA 0.539 45.642 45.100 0.004 0.000 1.002 42 G HN 0.497 nan 8.290 nan 0.000 0.551 43 E N 1.082 121.286 120.200 0.007 0.000 2.478 43 E HA -0.019 4.331 4.350 -0.000 0.000 0.198 43 E C 1.794 178.399 176.600 0.007 0.000 1.046 43 E CA 0.731 57.137 56.400 0.009 0.000 0.870 43 E CB 0.066 29.772 29.700 0.010 0.000 0.818 43 E HN 0.442 nan 8.360 nan 0.000 0.527 44 R N 0.971 121.473 120.500 0.005 0.000 2.694 44 R HA 0.290 4.629 4.340 -0.000 0.000 0.334 44 R C -0.267 176.034 176.300 0.001 0.000 1.143 44 R CA -0.023 56.079 56.100 0.003 0.000 1.073 44 R CB 0.219 30.520 30.300 0.001 0.000 1.366 44 R HN 0.104 nan 8.270 nan 0.000 0.577 45 S N -0.616 115.085 115.700 0.001 0.000 2.921 45 S HA 0.495 4.965 4.470 -0.000 0.000 0.315 45 S C -1.445 173.153 174.600 -0.003 0.000 1.087 45 S CA -0.602 57.596 58.200 -0.003 0.000 0.877 45 S CB 0.904 64.102 63.200 -0.005 0.000 1.340 45 S HN 0.157 nan 8.310 nan 0.000 0.622 46 L N 2.373 123.589 121.223 -0.011 0.000 2.276 46 L HA 0.801 5.141 4.340 -0.000 0.000 0.286 46 L C -0.186 176.675 176.870 -0.015 0.000 1.024 46 L CA -0.174 54.656 54.840 -0.017 0.000 0.826 46 L CB 0.351 42.388 42.059 -0.036 0.000 1.211 46 L HN 0.663 nan 8.230 nan 0.000 0.422 47 A N 4.442 127.262 122.820 0.001 0.000 2.310 47 A HA 0.937 5.256 4.320 -0.000 0.000 0.299 47 A C -0.348 177.246 177.584 0.017 0.000 1.147 47 A CA 0.209 52.253 52.037 0.012 0.000 0.818 47 A CB 0.770 19.786 19.000 0.026 0.000 1.096 47 A HN 1.245 nan 8.150 nan 0.000 0.495 48 A N 1.180 124.015 122.820 0.025 0.000 2.594 48 A HA 0.697 5.017 4.320 -0.000 0.000 0.296 48 A C -0.556 177.078 177.584 0.084 0.000 1.061 48 A CA -0.399 51.665 52.037 0.045 0.000 0.689 48 A CB 0.983 19.960 19.000 -0.038 0.000 1.280 48 A HN 0.855 nan 8.150 nan 0.000 0.406 49 T N 2.499 117.145 114.554 0.153 0.000 2.809 49 T HA 0.518 4.868 4.350 -0.000 0.000 0.296 49 T C -0.641 174.190 174.700 0.218 0.000 1.015 49 T CA -0.183 62.022 62.100 0.174 0.000 0.954 49 T CB 0.164 69.139 68.868 0.179 0.000 0.950 49 T HN 0.400 nan 8.240 nan 0.000 0.450 50 L N 3.458 124.785 121.223 0.173 0.000 2.350 50 L HA 0.585 4.925 4.340 -0.000 0.000 0.275 50 L C 0.146 177.110 176.870 0.157 0.000 1.099 50 L CA -0.419 54.526 54.840 0.175 0.000 0.808 50 L CB 1.255 43.394 42.059 0.133 0.000 1.149 50 L HN 0.379 nan 8.230 nan 0.000 0.442 51 V N 4.035 123.968 119.914 0.032 0.000 2.448 51 V HA 0.717 4.837 4.120 -0.000 0.000 0.295 51 V C -0.750 175.390 176.094 0.077 0.000 1.025 51 V CA -0.104 62.182 62.300 -0.022 0.000 0.859 51 V CB 1.091 32.768 31.823 -0.243 0.000 0.988 51 V HN 1.060 nan 8.190 nan 0.000 0.431 52 H N 4.163 123.232 119.070 -0.002 0.000 2.942 52 H HA 0.878 5.434 4.556 -0.000 0.000 0.316 52 H C -0.330 174.926 175.328 -0.120 0.000 1.323 52 H CA -0.478 55.412 56.048 -0.263 0.000 1.144 52 H CB 1.385 30.968 29.762 -0.298 0.000 1.866 52 H HN 0.812 nan 8.280 nan 0.000 0.545 53 A N 0.686 123.362 122.820 -0.241 0.000 2.425 53 A HA 0.319 4.639 4.320 -0.000 0.000 0.249 53 A C -1.734 175.858 177.584 0.013 0.000 1.084 53 A CA -1.339 50.693 52.037 -0.010 0.000 0.781 53 A CB -0.249 18.752 19.000 0.002 0.000 1.019 53 A HN 0.737 nan 8.150 nan 0.000 0.490 54 P HA -0.126 nan 4.420 nan 0.000 0.222 54 P C 1.326 178.662 177.300 0.059 0.000 1.147 54 P CA 1.783 64.893 63.100 0.017 0.000 0.790 54 P CB 0.178 31.884 31.700 0.010 0.000 0.780 55 S N -2.232 113.497 115.700 0.048 0.000 2.603 55 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 55 S C 0.619 175.231 174.600 0.020 0.000 0.967 55 S CA -0.215 58.005 58.200 0.033 0.000 0.920 55 S CB -0.652 62.564 63.200 0.027 0.000 0.773 55 S HN 0.002 nan 8.310 nan 0.000 0.529 56 V N 1.433 121.371 119.914 0.040 0.000 2.540 56 V HA 0.794 4.914 4.120 -0.000 0.000 0.302 56 V C -0.286 175.768 176.094 -0.067 0.000 1.035 56 V CA -0.918 61.366 62.300 -0.028 0.000 0.873 56 V CB 1.254 33.011 31.823 -0.110 0.000 0.992 56 V HN 0.465 nan 8.190 nan 0.000 0.428 57 A N 8.347 131.094 122.820 -0.123 0.000 2.362 57 A HA 0.629 4.949 4.320 -0.000 0.000 0.276 57 A C -1.532 175.868 177.584 -0.308 0.000 1.153 57 A CA -1.224 50.705 52.037 -0.179 0.000 0.813 57 A CB 0.458 19.393 19.000 -0.109 0.000 1.081 57 A HN 0.794 nan 8.150 nan 0.000 0.507 58 P HA -0.006 nan 4.420 nan 0.000 0.256 58 P C -0.202 176.948 177.300 -0.249 0.000 1.335 58 P CA 0.362 63.182 63.100 -0.466 0.000 0.808 58 P CB 0.167 31.472 31.700 -0.658 0.000 1.305 59 D N 1.104 121.391 120.400 -0.188 0.000 2.116 59 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 59 D C 1.950 178.181 176.300 -0.116 0.000 0.998 59 D CA 1.296 55.219 54.000 -0.128 0.000 0.836 59 D CB -0.420 40.319 40.800 -0.101 0.000 0.951 59 D HN 0.239 nan 8.370 nan 0.000 0.449 60 R N 0.224 120.649 120.500 -0.125 0.000 2.316 60 R HA 0.158 4.498 4.340 -0.000 0.000 0.202 60 R C 1.641 177.873 176.300 -0.112 0.000 1.029 60 R CA 0.691 56.724 56.100 -0.112 0.000 1.018 60 R CB 0.020 30.251 30.300 -0.115 0.000 0.888 60 R HN 0.121 nan 8.270 nan 0.000 0.471 61 A N 0.640 123.385 122.820 -0.125 0.000 2.218 61 A HA 0.140 4.460 4.320 -0.000 0.000 0.209 61 A C 0.605 178.136 177.584 -0.089 0.000 1.168 61 A CA 0.238 52.214 52.037 -0.102 0.000 0.804 61 A CB 0.620 19.554 19.000 -0.110 0.000 0.834 61 A HN 0.008 nan 8.150 nan 0.000 0.482 62 V N -0.510 119.349 119.914 -0.092 0.000 2.735 62 V HA 0.768 4.888 4.120 -0.000 0.000 0.310 62 V C -0.145 175.906 176.094 -0.071 0.000 1.061 62 V CA -0.231 62.018 62.300 -0.084 0.000 0.913 62 V CB 1.389 33.163 31.823 -0.081 0.000 1.005 62 V HN 0.482 nan 8.190 nan 0.000 0.428 63 A N 4.588 127.370 122.820 -0.063 0.000 2.515 63 A HA 0.960 5.280 4.320 -0.000 0.000 0.298 63 A C -0.816 176.741 177.584 -0.045 0.000 1.059 63 A CA -0.837 51.169 52.037 -0.053 0.000 0.698 63 A CB 1.956 20.925 19.000 -0.051 0.000 1.289 63 A HN 0.819 nan 8.150 nan 0.000 0.404 64 R N 0.091 120.568 120.500 -0.039 0.000 2.837 64 R HA 0.851 5.191 4.340 -0.000 0.000 0.271 64 R C -0.536 175.747 176.300 -0.029 0.000 0.993 64 R CA -0.251 55.830 56.100 -0.032 0.000 0.931 64 R CB 2.343 32.625 30.300 -0.030 0.000 1.206 64 R HN 1.114 nan 8.270 nan 0.000 0.474 65 S N 0.143 115.829 115.700 -0.024 0.000 2.661 65 S HA 0.396 4.866 4.470 -0.000 0.000 0.268 65 S C -1.209 173.379 174.600 -0.019 0.000 1.162 65 S CA -0.716 57.470 58.200 -0.023 0.000 0.817 65 S CB 1.358 64.543 63.200 -0.024 0.000 1.141 65 S HN 0.369 nan 8.310 nan 0.000 0.477 66 L N 1.122 122.334 121.223 -0.018 0.000 3.016 66 L HA 0.450 4.790 4.340 -0.000 0.000 0.267 66 L C 0.322 177.182 176.870 -0.015 0.000 1.182 66 L CA 0.394 55.225 54.840 -0.015 0.000 0.997 66 L CB 0.333 42.383 42.059 -0.015 0.000 1.354 66 L HN 0.902 nan 8.230 nan 0.000 0.569 67 T N -0.078 114.465 114.554 -0.018 0.000 2.769 67 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 67 T C 1.251 175.942 174.700 -0.015 0.000 0.931 67 T CA 0.660 62.749 62.100 -0.019 0.000 1.139 67 T CB 0.719 69.572 68.868 -0.024 0.000 0.881 67 T HN 0.518 nan 8.240 nan 0.000 0.532 68 G N 2.544 111.336 108.800 -0.013 0.000 2.579 68 G HA2 0.047 4.006 3.960 -0.000 0.000 0.222 68 G HA3 0.047 4.006 3.960 -0.000 0.000 0.222 68 G C 0.178 175.074 174.900 -0.007 0.000 1.201 68 G CA -0.150 44.944 45.100 -0.009 0.000 0.710 68 G HN 1.520 nan 8.290 nan 0.000 0.516 69 A N -0.780 122.036 122.820 -0.007 0.000 2.490 69 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 69 A C -3.320 174.259 177.584 -0.008 0.000 1.047 69 A CA -0.012 52.021 52.037 -0.006 0.000 0.632 69 A CB 0.187 19.185 19.000 -0.003 0.000 1.323 69 A HN 0.416 nan 8.150 nan 0.000 0.448 70 P HA 0.380 nan 4.420 nan 0.000 0.267 70 P C -0.605 176.690 177.300 -0.009 0.000 1.209 70 P CA 0.657 63.752 63.100 -0.009 0.000 0.763 70 P CB 0.695 32.390 31.700 -0.008 0.000 0.816 71 T N 2.480 117.027 114.554 -0.011 0.000 2.886 71 T HA 0.552 4.902 4.350 -0.000 0.000 0.292 71 T C -0.608 174.082 174.700 -0.018 0.000 1.012 71 T CA -0.475 61.618 62.100 -0.011 0.000 0.982 71 T CB 1.292 70.155 68.868 -0.009 0.000 1.018 71 T HN 0.133 nan 8.240 nan 0.000 0.451 72 T N 2.191 116.733 114.554 -0.021 0.000 2.879 72 T HA 0.738 5.087 4.350 -0.000 0.000 0.290 72 T C -0.675 174.000 174.700 -0.041 0.000 0.993 72 T CA -0.638 61.441 62.100 -0.034 0.000 0.975 72 T CB 1.519 70.364 68.868 -0.039 0.000 0.981 72 T HN 0.805 nan 8.240 nan 0.000 0.439 73 A N 2.670 125.462 122.820 -0.048 0.000 2.350 73 A HA 0.885 5.205 4.320 -0.000 0.000 0.324 73 A C -0.828 176.698 177.584 -0.098 0.000 1.118 73 A CA -0.676 51.330 52.037 -0.051 0.000 0.783 73 A CB 1.187 20.176 19.000 -0.018 0.000 1.236 73 A HN 0.674 nan 8.150 nan 0.000 0.457 74 V N 2.649 122.468 119.914 -0.158 0.000 2.577 74 V HA 0.577 4.697 4.120 -0.000 0.000 0.303 74 V C -0.699 175.289 176.094 -0.177 0.000 1.042 74 V CA -0.367 61.783 62.300 -0.250 0.000 0.872 74 V CB 1.499 33.020 31.823 -0.504 0.000 0.998 74 V HN 0.859 nan 8.190 nan 0.000 0.423 75 L N 4.147 125.358 121.223 -0.021 0.000 2.410 75 L HA 0.957 5.297 4.340 -0.000 0.000 0.270 75 L C -0.162 176.849 176.870 0.236 0.000 0.983 75 L CA -0.354 54.584 54.840 0.164 0.000 0.822 75 L CB 1.811 43.931 42.059 0.102 0.000 1.285 75 L HN 0.751 nan 8.230 nan 0.000 0.409 76 A N 3.615 126.671 122.820 0.394 0.000 2.304 76 A HA 0.897 5.217 4.320 -0.000 0.000 0.323 76 A C 0.336 178.057 177.584 0.228 0.000 1.195 76 A CA 0.370 52.565 52.037 0.264 0.000 0.826 76 A CB 0.854 19.968 19.000 0.189 0.000 1.184 76 A HN 1.442 nan 8.150 nan 0.000 0.496 77 G N 1.629 110.485 108.800 0.092 0.000 2.416 77 G HA2 0.198 4.158 3.960 -0.000 0.000 0.203 77 G HA3 0.198 4.158 3.960 -0.000 0.000 0.203 77 G C -0.576 174.309 174.900 -0.026 0.000 1.227 77 G CA 0.027 45.197 45.100 0.116 0.000 1.041 77 G HN 1.607 nan 8.290 nan 0.000 0.546 78 E N -1.451 118.776 120.200 0.046 0.000 2.445 78 E HA 0.737 5.087 4.350 -0.000 0.000 0.279 78 E C -1.149 175.285 176.600 -0.276 0.000 1.018 78 E CA -1.187 55.126 56.400 -0.145 0.000 0.816 78 E CB 2.081 31.668 29.700 -0.188 0.000 1.356 78 E HN 0.674 nan 8.360 nan 0.000 0.462 79 I N 1.172 121.523 120.570 -0.366 0.000 2.474 79 I HA 0.241 4.411 4.170 -0.000 0.000 0.294 79 I C -0.500 175.383 176.117 -0.390 0.000 1.005 79 I CA -0.752 60.322 61.300 -0.375 0.000 1.113 79 I CB 1.126 38.959 38.000 -0.279 0.000 1.289 79 I HN 0.595 nan 8.210 nan 0.000 0.436 80 Y N 2.202 122.542 120.300 0.068 0.000 2.500 80 Y HA 0.007 4.557 4.550 -0.000 0.000 0.284 80 Y C 1.639 177.550 175.900 0.018 0.000 1.118 80 Y CA -0.118 58.013 58.100 0.052 0.000 1.241 80 Y CB -0.141 38.362 38.460 0.072 0.000 1.171 80 Y HN 0.562 nan 8.280 nan 0.000 0.540 81 N N 1.682 120.459 118.700 0.129 0.000 3.091 81 N HA 0.040 4.780 4.740 -0.000 0.000 0.301 81 N C 0.689 176.209 175.510 0.016 0.000 1.325 81 N CA -0.034 53.054 53.050 0.064 0.000 1.143 81 N CB -0.235 38.277 38.487 0.043 0.000 1.450 81 N HN 0.292 nan 8.380 nan 0.000 0.542 82 R N 0.207 120.715 120.500 0.013 0.000 2.073 82 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 82 R C 0.780 177.074 176.300 -0.011 0.000 1.134 82 R CA 1.603 57.694 56.100 -0.016 0.000 0.952 82 R CB -0.041 30.249 30.300 -0.017 0.000 0.850 82 R HN 0.311 nan 8.270 nan 0.000 0.433 83 D N 0.650 121.051 120.400 0.003 0.000 2.104 83 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 83 D C 1.819 178.119 176.300 -0.001 0.000 0.994 83 D CA 1.377 55.378 54.000 0.001 0.000 0.830 83 D CB -0.131 40.672 40.800 0.006 0.000 0.959 83 D HN 0.233 nan 8.370 nan 0.000 0.452 84 E N 0.472 120.672 120.200 0.001 0.000 2.077 84 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 84 E C 2.346 178.942 176.600 -0.007 0.000 0.989 84 E CA 0.449 56.848 56.400 -0.002 0.000 0.800 84 E CB -0.288 29.411 29.700 -0.002 0.000 0.746 84 E HN 0.274 nan 8.360 nan 0.000 0.452 85 L N 0.035 121.248 121.223 -0.017 0.000 2.141 85 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 85 L C 2.176 179.042 176.870 -0.006 0.000 1.094 85 L CA 0.686 55.513 54.840 -0.023 0.000 0.763 85 L CB -0.304 41.724 42.059 -0.052 0.000 0.908 85 L HN 0.158 nan 8.230 nan 0.000 0.437 86 L N -0.542 120.675 121.223 -0.010 0.000 2.156 86 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 86 L C 2.817 179.689 176.870 0.003 0.000 1.095 86 L CA 1.264 56.099 54.840 -0.008 0.000 0.770 86 L CB -0.557 41.494 42.059 -0.013 0.000 0.914 86 L HN 0.365 nan 8.230 nan 0.000 0.439 87 S N -0.144 115.560 115.700 0.006 0.000 2.442 87 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 87 S C 1.675 176.290 174.600 0.025 0.000 1.007 87 S CA 1.071 59.277 58.200 0.011 0.000 0.965 87 S CB -0.580 62.625 63.200 0.009 0.000 0.773 87 S HN 0.361 nan 8.310 nan 0.000 0.504 88 V N -1.423 118.518 119.914 0.044 0.000 3.650 88 V HA 0.470 4.590 4.120 -0.000 0.000 0.271 88 V C 0.571 176.708 176.094 0.071 0.000 1.281 88 V CA -0.397 61.955 62.300 0.085 0.000 1.120 88 V CB -0.819 31.105 31.823 0.169 0.000 0.856 88 V HN 0.402 nan 8.190 nan 0.000 0.443 89 L N 1.753 122.998 121.223 0.037 0.000 2.418 89 L HA 0.488 4.828 4.340 -0.000 0.000 0.265 89 L C -2.024 174.838 176.870 -0.013 0.000 1.143 89 L CA -1.583 53.260 54.840 0.005 0.000 0.809 89 L CB 0.525 42.582 42.059 -0.004 0.000 1.124 89 L HN 0.149 nan 8.230 nan 0.000 0.456 90 P HA 0.296 nan 4.420 nan 0.000 0.284 90 P C -1.120 176.163 177.300 -0.029 0.000 1.258 90 P CA -0.611 62.469 63.100 -0.034 0.000 0.824 90 P CB 1.178 32.848 31.700 -0.050 0.000 1.038 91 A N 1.450 124.255 122.820 -0.025 0.000 2.396 91 A HA 0.547 4.866 4.320 -0.000 0.000 0.279 91 A C 1.114 178.685 177.584 -0.021 0.000 1.165 91 A CA 0.814 52.839 52.037 -0.021 0.000 0.824 91 A CB -1.045 17.945 19.000 -0.016 0.000 1.100 91 A HN 0.783 nan 8.150 nan 0.000 0.516 92 G N 2.675 111.463 108.800 -0.020 0.000 3.967 92 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.210 92 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.210 92 G C -1.870 173.018 174.900 -0.019 0.000 1.127 92 G CA 0.067 45.157 45.100 -0.018 0.000 0.887 92 G HN 0.795 nan 8.290 nan 0.000 0.367 93 P HA 0.566 nan 4.420 nan 0.000 0.267 93 P C 0.344 177.628 177.300 -0.025 0.000 1.328 93 P CA 0.696 63.783 63.100 -0.023 0.000 0.990 93 P CB 0.607 32.293 31.700 -0.023 0.000 1.168 94 A N 6.439 129.244 122.820 -0.025 0.000 2.520 94 A HA 0.333 4.653 4.320 -0.000 0.000 0.235 94 A C -1.806 175.758 177.584 -0.033 0.000 1.065 94 A CA -0.840 51.181 52.037 -0.028 0.000 0.764 94 A CB -1.025 17.960 19.000 -0.025 0.000 1.002 94 A HN 0.395 nan 8.150 nan 0.000 0.502 95 P HA 0.135 nan 4.420 nan 0.000 0.272 95 P C 0.642 177.914 177.300 -0.047 0.000 1.223 95 P CA -0.051 63.023 63.100 -0.045 0.000 0.784 95 P CB 0.625 32.293 31.700 -0.052 0.000 0.923 96 E N 1.098 121.268 120.200 -0.050 0.000 2.170 96 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 96 E C 0.730 177.294 176.600 -0.061 0.000 0.981 96 E CA 0.440 56.809 56.400 -0.051 0.000 0.830 96 E CB -0.089 29.580 29.700 -0.051 0.000 0.775 96 E HN 0.481 nan 8.360 nan 0.000 0.470 97 G N -0.324 108.434 108.800 -0.069 0.000 2.921 97 G HA2 0.158 4.118 3.960 -0.000 0.000 0.291 97 G HA3 0.158 4.118 3.960 -0.000 0.000 0.291 97 G C -0.621 174.225 174.900 -0.090 0.000 1.370 97 G CA -0.092 44.959 45.100 -0.082 0.000 0.847 97 G HN -0.062 nan 8.290 nan 0.000 0.532 98 D N -0.182 120.155 120.400 -0.105 0.000 2.183 98 D HA 0.005 4.644 4.640 -0.000 0.000 0.203 98 D C 2.572 178.803 176.300 -0.115 0.000 0.969 98 D CA 1.314 55.239 54.000 -0.126 0.000 0.842 98 D CB -0.052 40.658 40.800 -0.150 0.000 0.957 98 D HN 0.364 nan 8.370 nan 0.000 0.484 99 A N 0.720 123.488 122.820 -0.088 0.000 1.969 99 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 99 A C 2.087 179.632 177.584 -0.065 0.000 1.169 99 A CA 1.542 53.540 52.037 -0.065 0.000 0.635 99 A CB -0.418 18.547 19.000 -0.060 0.000 0.810 99 A HN 0.242 nan 8.150 nan 0.000 0.445 100 E N -0.630 119.529 120.200 -0.069 0.000 2.158 100 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 100 E C 1.832 178.392 176.600 -0.067 0.000 0.982 100 E CA 0.886 57.249 56.400 -0.062 0.000 0.823 100 E CB -0.159 29.507 29.700 -0.058 0.000 0.766 100 E HN 0.425 nan 8.360 nan 0.000 0.468 101 L N 0.378 121.552 121.223 -0.080 0.000 2.017 101 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 101 L C 2.192 178.998 176.870 -0.106 0.000 1.073 101 L CA 1.388 56.175 54.840 -0.088 0.000 0.745 101 L CB -0.548 41.450 42.059 -0.102 0.000 0.894 101 L HN 0.056 nan 8.230 nan 0.000 0.432 102 V N -0.547 119.291 119.914 -0.127 0.000 2.287 102 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 102 V C 2.581 178.603 176.094 -0.120 0.000 1.053 102 V CA 1.790 63.995 62.300 -0.158 0.000 1.027 102 V CB -0.616 31.145 31.823 -0.104 0.000 0.646 102 V HN 0.402 nan 8.190 nan 0.000 0.447 103 L N -0.335 120.845 121.223 -0.071 0.000 2.079 103 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 103 L C 2.619 179.456 176.870 -0.055 0.000 1.081 103 L CA 1.830 56.639 54.840 -0.050 0.000 0.752 103 L CB -0.876 41.159 42.059 -0.039 0.000 0.896 103 L HN 0.230 nan 8.230 nan 0.000 0.433 104 R N -0.720 119.745 120.500 -0.058 0.000 2.066 104 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 104 R C 2.247 178.521 176.300 -0.044 0.000 1.131 104 R CA 1.182 57.252 56.100 -0.050 0.000 0.955 104 R CB -0.964 29.309 30.300 -0.045 0.000 0.851 104 R HN 0.365 nan 8.270 nan 0.000 0.432 105 L N 0.663 121.860 121.223 -0.044 0.000 2.083 105 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 105 L C 2.490 179.367 176.870 0.012 0.000 1.083 105 L CA 1.050 55.899 54.840 0.015 0.000 0.752 105 L CB -0.491 41.529 42.059 -0.066 0.000 0.899 105 L HN 0.118 nan 8.230 nan 0.000 0.433 106 L N -0.496 120.684 121.223 -0.071 0.000 2.093 106 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 106 L C 2.423 179.274 176.870 -0.031 0.000 1.085 106 L CA 1.198 56.005 54.840 -0.054 0.000 0.755 106 L CB -0.423 41.608 42.059 -0.048 0.000 0.904 106 L HN 0.292 nan 8.230 nan 0.000 0.435 107 E N -0.495 119.676 120.200 -0.048 0.000 2.268 107 E HA -0.225 4.124 4.350 -0.000 0.000 0.195 107 E C 2.141 178.678 176.600 -0.106 0.000 0.995 107 E CA 0.702 57.066 56.400 -0.061 0.000 0.836 107 E CB 0.063 29.728 29.700 -0.059 0.000 0.763 107 E HN 0.361 nan 8.360 nan 0.000 0.491 108 R N -0.570 119.832 120.500 -0.163 0.000 2.123 108 R HA 0.011 4.351 4.340 -0.000 0.000 0.209 108 R C 0.926 176.938 176.300 -0.480 0.000 1.078 108 R CA 0.617 56.488 56.100 -0.381 0.000 1.028 108 R CB 0.330 30.279 30.300 -0.585 0.000 0.939 108 R HN 0.126 nan 8.270 nan 0.000 0.463 109 Y N 0.260 120.549 120.300 -0.019 0.000 2.481 109 Y HA 0.275 4.824 4.550 -0.000 0.000 0.247 109 Y C 0.191 176.129 175.900 0.063 0.000 1.151 109 Y CA -0.086 58.029 58.100 0.026 0.000 1.238 109 Y CB 0.314 38.784 38.460 0.016 0.000 1.179 109 Y HN 0.163 nan 8.280 nan 0.000 0.524 110 D N -0.170 120.295 120.400 0.107 0.000 3.395 110 D HA -0.301 4.338 4.640 -0.000 0.000 0.238 110 D C 1.033 177.349 176.300 0.028 0.000 1.741 110 D CA 1.752 55.784 54.000 0.054 0.000 1.135 110 D CB -0.547 40.284 40.800 0.051 0.000 0.767 110 D HN 0.100 nan 8.370 nan 0.000 0.934 111 L N -1.332 119.869 121.223 -0.038 0.000 2.349 111 L HA 0.083 4.423 4.340 -0.000 0.000 0.220 111 L C 1.888 178.759 176.870 0.000 0.000 1.130 111 L CA 1.907 56.761 54.840 0.024 0.000 0.791 111 L CB -1.065 40.952 42.059 -0.069 0.000 0.918 111 L HN 0.464 nan 8.230 nan 0.000 0.444 112 H N 0.078 119.196 119.070 0.080 0.000 2.563 112 H HA 0.269 4.825 4.556 -0.000 0.000 0.272 112 H C 2.249 177.574 175.328 -0.006 0.000 1.005 112 H CA 0.530 56.617 56.048 0.065 0.000 1.171 112 H CB 0.070 29.869 29.762 0.063 0.000 1.351 112 H HN 0.550 nan 8.280 nan 0.000 0.602 113 A N 0.504 123.322 122.820 -0.003 0.000 1.933 113 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 113 A C 1.570 178.979 177.584 -0.292 0.000 1.175 113 A CA 1.158 53.065 52.037 -0.217 0.000 0.628 113 A CB -0.821 17.948 19.000 -0.385 0.000 0.814 113 A HN 0.401 nan 8.150 nan 0.000 0.444 114 F N -0.254 119.748 119.950 0.087 0.000 2.546 114 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 114 F C 2.369 178.260 175.800 0.153 0.000 1.120 114 F CA 0.905 58.991 58.000 0.142 0.000 1.456 114 F CB -0.112 39.000 39.000 0.188 0.000 1.088 114 F HN 0.128 nan 8.300 nan 0.000 0.572 115 R N -0.046 120.591 120.500 0.229 0.000 2.236 115 R HA 0.005 4.345 4.340 -0.000 0.000 0.208 115 R C 1.703 178.067 176.300 0.106 0.000 1.036 115 R CA 0.693 56.911 56.100 0.196 0.000 1.001 115 R CB -0.174 30.218 30.300 0.153 0.000 0.896 115 R HN 0.377 nan 8.270 nan 0.000 0.464 116 L N 0.222 121.450 121.223 0.008 0.000 2.354 116 L HA 0.092 4.432 4.340 -0.000 0.000 0.212 116 L C 0.373 177.240 176.870 -0.005 0.000 1.091 116 L CA 0.027 54.831 54.840 -0.060 0.000 0.828 116 L CB 0.319 42.250 42.059 -0.214 0.000 0.973 116 L HN -0.124 nan 8.230 nan 0.000 0.461 117 V N 1.463 121.410 119.914 0.056 0.000 2.470 117 V HA 0.045 4.165 4.120 -0.000 0.000 0.276 117 V C -0.084 176.115 176.094 0.176 0.000 1.040 117 V CA -0.275 62.074 62.300 0.081 0.000 1.008 117 V CB 0.793 32.647 31.823 0.052 0.000 0.990 117 V HN 0.265 nan 8.190 nan 0.000 0.477 118 N N 4.207 122.975 118.700 0.113 0.000 2.609 118 N HA 0.629 5.369 4.740 -0.000 0.000 0.234 118 N C -0.086 175.578 175.510 0.255 0.000 1.001 118 N CA 0.244 53.372 53.050 0.131 0.000 0.926 118 N CB 1.193 39.711 38.487 0.052 0.000 1.130 118 N HN 0.833 nan 8.380 nan 0.000 0.510 119 G N 1.471 110.526 108.800 0.426 0.000 2.815 119 G HA2 0.469 4.428 3.960 -0.000 0.000 0.305 119 G HA3 0.469 4.428 3.960 -0.000 0.000 0.305 119 G C -1.487 173.710 174.900 0.495 0.000 1.277 119 G CA -0.821 44.487 45.100 0.347 0.000 0.795 119 G HN 0.446 nan 8.290 nan 0.000 0.528 120 R N -0.062 120.674 120.500 0.393 0.000 2.607 120 R HA 0.557 4.896 4.340 -0.000 0.000 0.278 120 R C -1.353 175.199 176.300 0.420 0.000 1.637 120 R CA -0.547 55.780 56.100 0.378 0.000 1.325 120 R CB 0.079 30.671 30.300 0.488 0.000 1.211 120 R HN 0.592 nan 8.270 nan 0.000 0.565 121 F N 0.232 120.272 119.950 0.149 0.000 2.745 121 F HA 0.905 5.432 4.527 -0.000 0.000 0.316 121 F C -1.913 173.953 175.800 0.110 0.000 1.155 121 F CA -1.296 56.786 58.000 0.137 0.000 0.937 121 F CB 1.183 40.247 39.000 0.107 0.000 1.361 121 F HN 0.206 nan 8.300 nan 0.000 0.472 122 A N 0.822 123.764 122.820 0.203 0.000 2.488 122 A HA 0.728 5.048 4.320 -0.000 0.000 0.295 122 A C -1.224 176.626 177.584 0.443 0.000 1.045 122 A CA -0.228 51.879 52.037 0.116 0.000 0.703 122 A CB 1.470 20.459 19.000 -0.019 0.000 1.271 122 A HN 1.299 nan 8.150 nan 0.000 0.400 123 T N 0.344 115.138 114.554 0.400 0.000 2.923 123 T HA 0.621 4.971 4.350 -0.000 0.000 0.311 123 T C -1.820 173.004 174.700 0.206 0.000 1.183 123 T CA -0.265 62.051 62.100 0.360 0.000 1.020 123 T CB 1.491 70.570 68.868 0.352 0.000 1.165 123 T HN 1.880 nan 8.240 nan 0.000 0.482 124 V N 4.958 124.888 119.914 0.027 0.000 2.588 124 V HA 0.922 5.042 4.120 -0.000 0.000 0.304 124 V C -1.005 175.061 176.094 -0.047 0.000 1.042 124 V CA -0.367 61.924 62.300 -0.016 0.000 0.877 124 V CB 1.410 33.182 31.823 -0.085 0.000 0.996 124 V HN 0.874 nan 8.190 nan 0.000 0.425 125 V N 7.531 127.455 119.914 0.015 0.000 2.760 125 V HA 0.731 4.851 4.120 -0.000 0.000 0.309 125 V C -0.752 175.353 176.094 0.018 0.000 1.077 125 V CA -0.746 61.564 62.300 0.017 0.000 0.910 125 V CB 2.018 33.885 31.823 0.073 0.000 1.008 125 V HN 1.086 nan 8.190 nan 0.000 0.424 126 R N 3.363 123.864 120.500 0.001 0.000 2.494 126 R HA 0.709 5.049 4.340 -0.000 0.000 0.305 126 R C -1.229 175.074 176.300 0.006 0.000 0.959 126 R CA -0.199 55.904 56.100 0.005 0.000 0.864 126 R CB 1.888 32.186 30.300 -0.004 0.000 1.159 126 R HN 0.807 nan 8.270 nan 0.000 0.446 127 T N 3.275 117.836 114.554 0.011 0.000 2.906 127 T HA 0.511 4.861 4.350 -0.000 0.000 0.302 127 T C 0.384 175.088 174.700 0.006 0.000 1.002 127 T CA 0.706 62.810 62.100 0.008 0.000 0.988 127 T CB 0.864 69.739 68.868 0.013 0.000 0.972 127 T HN 0.972 nan 8.240 nan 0.000 0.447 128 G N 5.040 113.841 108.800 0.002 0.000 2.561 128 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.289 128 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.289 128 G C 0.020 174.921 174.900 0.001 0.000 1.169 128 G CA 0.458 45.559 45.100 0.001 0.000 0.980 128 G HN 0.664 nan 8.290 nan 0.000 0.550 129 D N 1.283 121.684 120.400 0.001 0.000 2.525 129 D HA 0.279 4.919 4.640 -0.000 0.000 0.229 129 D C 0.964 177.265 176.300 0.002 0.000 1.202 129 D CA 0.044 54.044 54.000 -0.000 0.000 0.828 129 D CB 0.245 41.043 40.800 -0.004 0.000 1.008 129 D HN 0.472 nan 8.370 nan 0.000 0.493 130 R N 0.415 120.919 120.500 0.007 0.000 2.589 130 R HA 0.578 4.918 4.340 -0.000 0.000 0.293 130 R C -1.376 174.935 176.300 0.018 0.000 0.963 130 R CA -0.537 55.571 56.100 0.013 0.000 0.905 130 R CB 1.561 31.872 30.300 0.019 0.000 1.144 130 R HN -0.229 nan 8.270 nan 0.000 0.459 131 V N 6.079 126.006 119.914 0.022 0.000 2.577 131 V HA 0.403 4.522 4.120 -0.000 0.000 0.303 131 V C -0.504 175.612 176.094 0.037 0.000 1.042 131 V CA -0.771 61.545 62.300 0.027 0.000 0.872 131 V CB 1.833 33.670 31.823 0.023 0.000 0.998 131 V HN 0.659 nan 8.190 nan 0.000 0.423 132 L N 5.831 127.083 121.223 0.049 0.000 2.317 132 L HA 0.664 5.004 4.340 -0.000 0.000 0.281 132 L C -0.894 175.990 176.870 0.024 0.000 1.024 132 L CA -0.552 54.321 54.840 0.054 0.000 0.810 132 L CB 1.741 43.869 42.059 0.116 0.000 1.240 132 L HN 0.417 nan 8.230 nan 0.000 0.427 133 L N 3.390 124.603 121.223 -0.017 0.000 2.372 133 L HA 0.807 5.147 4.340 -0.000 0.000 0.274 133 L C -0.336 176.444 176.870 -0.149 0.000 0.988 133 L CA -0.379 54.442 54.840 -0.031 0.000 0.833 133 L CB 1.785 43.851 42.059 0.011 0.000 1.236 133 L HN 0.695 nan 8.230 nan 0.000 0.410 134 A N 1.841 124.516 122.820 -0.242 0.000 2.435 134 A HA 0.936 5.256 4.320 -0.000 0.000 0.304 134 A C -0.272 177.146 177.584 -0.276 0.000 1.064 134 A CA -0.497 51.282 52.037 -0.431 0.000 0.727 134 A CB 1.908 20.132 19.000 -1.295 0.000 1.284 134 A HN 0.627 nan 8.150 nan 0.000 0.415 135 T N -0.991 113.386 114.554 -0.294 0.000 2.940 135 T HA 0.666 5.016 4.350 -0.000 0.000 0.288 135 T C -0.258 174.119 174.700 -0.540 0.000 1.045 135 T CA -0.381 61.485 62.100 -0.389 0.000 1.018 135 T CB 1.130 69.857 68.868 -0.235 0.000 1.151 135 T HN 0.750 nan 8.240 nan 0.000 0.529 136 D N -0.802 119.136 120.400 -0.770 0.000 2.414 136 D HA 0.076 4.715 4.640 -0.000 0.000 0.251 136 D C 1.600 177.832 176.300 -0.114 0.000 1.252 136 D CA -0.496 53.192 54.000 -0.519 0.000 0.999 136 D CB 0.159 40.720 40.800 -0.398 0.000 1.093 136 D HN 0.783 nan 8.370 nan 0.000 0.515 137 H N -0.989 118.037 119.070 -0.073 0.000 2.426 137 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 137 H C 1.027 176.304 175.328 -0.084 0.000 1.107 137 H CA 1.780 57.730 56.048 -0.163 0.000 1.298 137 H CB -0.495 28.848 29.762 -0.698 0.000 1.377 137 H HN 0.454 nan 8.280 nan 0.000 0.519 138 A N 0.187 122.595 122.820 -0.687 0.000 2.430 138 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 138 A C 1.809 179.457 177.584 0.107 0.000 1.254 138 A CA 0.427 52.394 52.037 -0.117 0.000 0.914 138 A CB -0.271 18.597 19.000 -0.220 0.000 0.998 138 A HN 0.721 nan 8.150 nan 0.000 0.515 139 G N 0.987 109.750 108.800 -0.061 0.000 2.356 139 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.296 139 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.296 139 G C 0.998 175.853 174.900 -0.073 0.000 1.022 139 G CA 1.119 46.170 45.100 -0.081 0.000 0.961 139 G HN 1.397 nan 8.290 nan 0.000 0.510 140 S N -2.390 113.256 115.700 -0.090 0.000 2.474 140 S HA 0.215 4.685 4.470 -0.000 0.000 0.235 140 S C 0.890 175.450 174.600 -0.067 0.000 0.997 140 S CA 1.070 59.237 58.200 -0.055 0.000 0.949 140 S CB 0.523 63.730 63.200 0.013 0.000 0.766 140 S HN 0.874 nan 8.310 nan 0.000 0.517 141 V N 3.828 123.685 119.914 -0.095 0.000 2.284 141 V HA 0.416 4.536 4.120 -0.000 0.000 0.274 141 V C -2.576 173.428 176.094 -0.151 0.000 1.023 141 V CA -2.106 60.143 62.300 -0.085 0.000 0.808 141 V CB 0.925 32.732 31.823 -0.026 0.000 1.035 141 V HN 0.181 nan 8.190 nan 0.000 0.445 142 P HA 0.161 nan 4.420 nan 0.000 0.266 142 P C -0.849 176.239 177.300 -0.354 0.000 1.195 142 P CA -0.057 62.874 63.100 -0.282 0.000 0.768 142 P CB 0.595 32.182 31.700 -0.188 0.000 0.838 143 L N 4.711 125.622 121.223 -0.520 0.000 2.436 143 L HA 0.518 4.858 4.340 -0.000 0.000 0.268 143 L C -1.587 174.982 176.870 -0.502 0.000 0.974 143 L CA -0.657 53.965 54.840 -0.363 0.000 0.826 143 L CB 0.998 42.943 42.059 -0.190 0.000 1.291 143 L HN 0.270 nan 8.230 nan 0.000 0.406 144 Y N 2.066 122.372 120.300 0.010 0.000 2.598 144 Y HA 0.856 5.406 4.550 -0.000 0.000 0.340 144 Y C 0.334 176.293 175.900 0.097 0.000 1.038 144 Y CA -0.674 57.461 58.100 0.058 0.000 1.100 144 Y CB 2.498 40.986 38.460 0.046 0.000 1.281 144 Y HN 0.602 nan 8.280 nan 0.000 0.488 145 T N 0.175 114.912 114.554 0.305 0.000 2.840 145 T HA 0.574 4.924 4.350 -0.000 0.000 0.317 145 T C -2.043 172.814 174.700 0.262 0.000 1.401 145 T CA -0.432 61.811 62.100 0.238 0.000 1.028 145 T CB 0.623 69.596 68.868 0.174 0.000 1.317 145 T HN 0.729 nan 8.240 nan 0.000 0.495 146 C N 3.121 122.548 119.300 0.212 0.000 2.396 146 C HA 0.827 5.287 4.460 -0.000 0.000 0.321 146 C C -0.594 174.502 174.990 0.177 0.000 1.233 146 C CA -0.618 58.533 59.018 0.222 0.000 1.440 146 C CB 0.585 28.433 27.740 0.181 0.000 2.110 146 C HN 0.740 nan 8.230 nan 0.000 0.473 147 V N 3.075 123.097 119.914 0.181 0.000 2.588 147 V HA 0.946 5.066 4.120 -0.000 0.000 0.304 147 V C 0.065 176.248 176.094 0.147 0.000 1.042 147 V CA -0.118 62.249 62.300 0.111 0.000 0.877 147 V CB 1.673 33.515 31.823 0.030 0.000 0.996 147 V HN 1.094 nan 8.190 nan 0.000 0.425 148 A N 5.541 128.364 122.820 0.005 0.000 2.587 148 A HA 0.933 5.253 4.320 -0.000 0.000 0.293 148 A C -3.180 174.174 177.584 -0.384 0.000 1.087 148 A CA -1.821 50.025 52.037 -0.319 0.000 0.692 148 A CB 2.059 21.180 19.000 0.201 0.000 1.291 148 A HN 0.591 nan 8.150 nan 0.000 0.407 149 P HA 0.292 nan 4.420 nan 0.000 0.260 149 P C 1.025 178.236 177.300 -0.150 0.000 1.207 149 P CA 2.348 65.259 63.100 -0.315 0.000 0.780 149 P CB 0.420 31.928 31.700 -0.320 0.000 0.789 150 G N 2.521 111.265 108.800 -0.093 0.000 2.254 150 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 150 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 150 G C -0.000 174.891 174.900 -0.015 0.000 1.003 150 G CA -0.008 45.068 45.100 -0.040 0.000 0.622 150 G HN 0.605 nan 8.290 nan 0.000 0.507 151 E N -0.444 119.749 120.200 -0.011 0.000 2.331 151 E HA 0.620 4.970 4.350 -0.000 0.000 0.275 151 E C -1.466 175.155 176.600 0.034 0.000 0.895 151 E CA -0.753 55.660 56.400 0.022 0.000 0.753 151 E CB 2.589 32.318 29.700 0.048 0.000 1.216 151 E HN 0.322 nan 8.360 nan 0.000 0.434 152 V N 4.076 124.018 119.914 0.046 0.000 2.623 152 V HA 0.516 4.636 4.120 -0.000 0.000 0.304 152 V C -0.586 175.558 176.094 0.083 0.000 1.054 152 V CA -0.736 61.601 62.300 0.063 0.000 0.882 152 V CB 1.846 33.697 31.823 0.047 0.000 1.002 152 V HN 0.652 nan 8.190 nan 0.000 0.424 153 R N 2.711 123.278 120.500 0.110 0.000 2.562 153 R HA 0.895 5.235 4.340 -0.000 0.000 0.298 153 R C -0.649 175.751 176.300 0.166 0.000 0.961 153 R CA -0.563 55.615 56.100 0.130 0.000 0.881 153 R CB 2.388 32.763 30.300 0.125 0.000 1.159 153 R HN 0.810 nan 8.270 nan 0.000 0.450 154 A N 1.186 124.133 122.820 0.212 0.000 2.449 154 A HA 0.687 5.006 4.320 -0.000 0.000 0.302 154 A C -1.064 176.734 177.584 0.355 0.000 1.048 154 A CA -0.599 51.603 52.037 0.275 0.000 0.708 154 A CB 2.199 21.380 19.000 0.301 0.000 1.274 154 A HN 0.544 nan 8.150 nan 0.000 0.410 155 S N -0.353 115.503 115.700 0.260 0.000 2.550 155 S HA 0.547 5.017 4.470 -0.000 0.000 0.270 155 S C 0.698 175.281 174.600 -0.029 0.000 1.145 155 S CA 0.330 58.621 58.200 0.151 0.000 0.852 155 S CB 1.305 64.649 63.200 0.240 0.000 1.119 155 S HN 1.461 nan 8.310 nan 0.000 0.465 156 T N 0.170 114.532 114.554 -0.319 0.000 3.148 156 T HA 0.316 4.666 4.350 -0.000 0.000 0.253 156 T C 0.093 174.803 174.700 0.016 0.000 1.134 156 T CA 0.331 62.255 62.100 -0.294 0.000 1.051 156 T CB -0.354 68.192 68.868 -0.537 0.000 0.959 156 T HN 0.592 nan 8.240 nan 0.000 0.525 157 E N -0.046 120.236 120.200 0.136 0.000 2.260 157 E HA 0.585 4.935 4.350 -0.000 0.000 0.266 157 E C 0.459 177.036 176.600 -0.038 0.000 0.887 157 E CA -0.577 55.881 56.400 0.096 0.000 0.777 157 E CB 1.946 31.710 29.700 0.107 0.000 1.205 157 E HN 0.121 nan 8.360 nan 0.000 0.414 158 A N 3.869 126.384 122.820 -0.508 0.000 1.972 158 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 158 A C 1.949 179.362 177.584 -0.286 0.000 1.169 158 A CA 1.691 53.351 52.037 -0.627 0.000 0.635 158 A CB -0.463 17.877 19.000 -1.100 0.000 0.810 158 A HN 0.651 nan 8.150 nan 0.000 0.446 159 K N -0.315 119.931 120.400 -0.256 0.000 2.211 159 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 159 K C 1.757 178.290 176.600 -0.112 0.000 1.047 159 K CA 1.349 57.525 56.287 -0.184 0.000 0.935 159 K CB -0.495 31.890 32.500 -0.192 0.000 0.728 159 K HN 0.259 nan 8.250 nan 0.000 0.452 160 A N 0.931 123.704 122.820 -0.078 0.000 2.168 160 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 160 A C 1.726 179.289 177.584 -0.035 0.000 1.152 160 A CA 0.663 52.651 52.037 -0.083 0.000 0.716 160 A CB -0.070 18.903 19.000 -0.045 0.000 0.794 160 A HN 0.243 nan 8.150 nan 0.000 0.465 161 L N -1.911 119.299 121.223 -0.022 0.000 2.664 161 L HA 0.280 4.620 4.340 -0.000 0.000 0.233 161 L C 2.509 179.372 176.870 -0.013 0.000 1.113 161 L CA 0.981 55.825 54.840 0.008 0.000 0.896 161 L CB -1.344 40.742 42.059 0.045 0.000 1.163 161 L HN 0.347 nan 8.230 nan 0.000 0.497 162 A N 0.688 123.480 122.820 -0.047 0.000 2.042 162 A HA -0.036 4.284 4.320 -0.000 0.000 0.222 162 A C 1.618 179.188 177.584 -0.024 0.000 1.167 162 A CA 1.472 53.481 52.037 -0.047 0.000 0.649 162 A CB -0.403 18.554 19.000 -0.072 0.000 0.809 162 A HN 0.348 nan 8.150 nan 0.000 0.457 171 P HA 0.437 nan 4.420 nan 0.000 0.272 171 P C -1.065 176.121 177.300 -0.191 0.000 1.230 171 P CA -0.258 62.876 63.100 0.057 0.000 0.788 171 P CB 1.591 33.363 31.700 0.120 0.000 0.949 172 L N 0.793 121.706 121.223 -0.516 0.000 2.529 172 L HA 0.415 4.755 4.340 -0.000 0.000 0.258 172 L C 0.369 177.064 176.870 -0.292 0.000 1.032 172 L CA -0.819 53.717 54.840 -0.507 0.000 0.899 172 L CB 1.325 42.935 42.059 -0.747 0.000 1.174 172 L HN 0.412 nan 8.230 nan 0.000 0.458 173 A N 0.935 123.679 122.820 -0.126 0.000 2.406 173 A HA 0.421 4.741 4.320 -0.000 0.000 0.243 173 A C 0.691 178.243 177.584 -0.054 0.000 1.082 173 A CA 0.468 52.476 52.037 -0.048 0.000 0.786 173 A CB 0.217 19.200 19.000 -0.028 0.000 1.029 173 A HN 0.887 nan 8.150 nan 0.000 0.495 174 D N -2.391 117.996 120.400 -0.021 0.000 2.748 174 D HA -0.152 4.488 4.640 -0.000 0.000 0.189 174 D C 0.128 176.426 176.300 -0.004 0.000 0.982 174 D CA 1.850 55.836 54.000 -0.023 0.000 1.017 174 D CB -1.724 39.046 40.800 -0.050 0.000 1.076 174 D HN 1.300 nan 8.370 nan 0.000 0.446 175 A N 0.386 123.221 122.820 0.024 0.000 2.435 175 A HA 0.735 5.055 4.320 -0.000 0.000 0.304 175 A C -0.020 177.699 177.584 0.225 0.000 1.064 175 A CA -0.804 51.291 52.037 0.095 0.000 0.727 175 A CB 1.556 20.602 19.000 0.078 0.000 1.284 175 A HN 0.127 nan 8.150 nan 0.000 0.415 176 R N 1.941 122.564 120.500 0.204 0.000 2.346 176 R HA 0.570 4.910 4.340 -0.000 0.000 0.311 176 R C -0.663 175.712 176.300 0.126 0.000 0.983 176 R CA -0.661 55.539 56.100 0.167 0.000 0.880 176 R CB 1.312 31.652 30.300 0.068 0.000 1.100 176 R HN 0.683 nan 8.270 nan 0.000 0.453 177 R N 1.563 122.042 120.500 -0.035 0.000 2.623 177 R HA 0.090 4.430 4.340 -0.000 0.000 0.271 177 R C -0.272 175.933 176.300 -0.157 0.000 1.043 177 R CA -0.221 55.664 56.100 -0.358 0.000 1.083 177 R CB 0.955 31.051 30.300 -0.339 0.000 0.974 177 R HN 0.397 nan 8.270 nan 0.000 0.436 178 V N 3.667 123.490 119.914 -0.152 0.000 2.432 178 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 178 V C 0.669 176.719 176.094 -0.073 0.000 1.046 178 V CA -0.595 61.681 62.300 -0.039 0.000 0.945 178 V CB 0.974 32.800 31.823 0.004 0.000 0.992 178 V HN 0.920 nan 8.190 nan 0.000 0.471 179 A N 4.541 127.283 122.820 -0.131 0.000 2.587 179 A HA 0.429 4.749 4.320 -0.000 0.000 0.235 179 A C 1.690 179.208 177.584 -0.109 0.000 1.044 179 A CA 0.870 52.793 52.037 -0.190 0.000 0.754 179 A CB -0.577 18.217 19.000 -0.342 0.000 0.968 179 A HN 2.098 nan 8.150 nan 0.000 0.509 180 G N 0.923 109.696 108.800 -0.046 0.000 2.708 180 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.229 180 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.229 180 G C 0.220 175.160 174.900 0.067 0.000 1.236 180 G CA 0.614 45.753 45.100 0.065 0.000 0.749 180 G HN 1.007 nan 8.290 nan 0.000 0.515 181 L N 1.509 122.776 121.223 0.073 0.000 2.476 181 L HA 0.602 4.942 4.340 -0.000 0.000 0.255 181 L C 0.839 177.686 176.870 -0.038 0.000 1.218 181 L CA 0.795 55.643 54.840 0.014 0.000 0.819 181 L CB 0.814 42.869 42.059 -0.006 0.000 1.119 181 L HN 0.229 nan 8.230 nan 0.000 0.485 182 T N 0.221 114.751 114.554 -0.040 0.000 2.840 182 T HA 0.519 4.869 4.350 -0.000 0.000 0.287 182 T C 0.616 175.294 174.700 -0.038 0.000 0.991 182 T CA -0.120 61.951 62.100 -0.048 0.000 0.964 182 T CB 1.317 70.169 68.868 -0.027 0.000 0.954 182 T HN 0.950 nan 8.240 nan 0.000 0.438 183 G N 2.263 111.030 108.800 -0.055 0.000 2.162 183 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 183 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 183 G C 0.091 175.052 174.900 0.102 0.000 0.976 183 G CA 0.080 45.227 45.100 0.078 0.000 0.655 183 G HN 0.784 nan 8.290 nan 0.000 0.533 184 V N 0.647 120.502 119.914 -0.098 0.000 2.394 184 V HA 0.689 4.809 4.120 -0.000 0.000 0.282 184 V C -0.184 175.805 176.094 -0.175 0.000 1.031 184 V CA -0.851 61.447 62.300 -0.004 0.000 0.881 184 V CB 1.072 32.885 31.823 -0.017 0.000 0.982 184 V HN 0.232 nan 8.190 nan 0.000 0.451 185 Y N 2.322 122.714 120.300 0.153 0.000 2.485 185 Y HA 0.546 5.096 4.550 -0.000 0.000 0.345 185 Y C 0.201 176.235 175.900 0.224 0.000 0.998 185 Y CA -0.756 57.438 58.100 0.155 0.000 1.059 185 Y CB 1.857 40.376 38.460 0.098 0.000 1.234 185 Y HN 0.593 nan 8.280 nan 0.000 0.461 186 Q N 1.791 121.774 119.800 0.305 0.000 2.290 186 Q HA 0.562 4.902 4.340 -0.000 0.000 0.259 186 Q C -1.442 174.561 176.000 0.005 0.000 0.941 186 Q CA -0.736 55.115 55.803 0.080 0.000 0.912 186 Q CB 1.159 29.917 28.738 0.032 0.000 1.244 186 Q HN 0.603 nan 8.270 nan 0.000 0.441 187 V N 6.904 126.763 119.914 -0.091 0.000 2.521 187 V HA 0.162 4.282 4.120 -0.000 0.000 0.286 187 V C -1.965 174.077 176.094 -0.086 0.000 1.034 187 V CA -1.153 61.108 62.300 -0.064 0.000 1.045 187 V CB 0.474 32.247 31.823 -0.083 0.000 0.974 187 V HN 0.857 nan 8.190 nan 0.000 0.480 188 P HA 0.166 nan 4.420 nan 0.000 0.269 188 P C -0.271 177.002 177.300 -0.044 0.000 1.217 188 P CA 0.006 63.078 63.100 -0.046 0.000 0.783 188 P CB 0.449 32.136 31.700 -0.022 0.000 0.898 189 A N 1.911 124.714 122.820 -0.028 0.000 2.386 189 A HA 0.471 4.791 4.320 -0.000 0.000 0.248 189 A C 1.133 178.787 177.584 0.118 0.000 1.082 189 A CA 0.284 52.342 52.037 0.034 0.000 0.789 189 A CB -1.129 17.940 19.000 0.115 0.000 1.025 189 A HN 0.849 nan 8.150 nan 0.000 0.490 190 G N -0.389 108.494 108.800 0.139 0.000 2.386 190 G HA2 0.297 4.257 3.960 -0.000 0.000 0.295 190 G HA3 0.297 4.257 3.960 -0.000 0.000 0.295 190 G C 0.233 175.251 174.900 0.196 0.000 0.979 190 G CA 0.845 46.097 45.100 0.253 0.000 1.193 190 G HN 2.355 nan 8.290 nan 0.000 0.508 191 A N -1.201 121.674 122.820 0.091 0.000 2.609 191 A HA 0.960 5.280 4.320 -0.000 0.000 0.291 191 A C -0.681 176.897 177.584 -0.011 0.000 1.096 191 A CA -0.004 52.075 52.037 0.071 0.000 0.684 191 A CB 2.290 21.315 19.000 0.042 0.000 1.282 191 A HN 1.919 nan 8.150 nan 0.000 0.412 192 V N 1.992 121.921 119.914 0.026 0.000 2.623 192 V HA 0.671 4.791 4.120 -0.000 0.000 0.304 192 V C -0.973 175.150 176.094 0.048 0.000 1.054 192 V CA -0.546 61.728 62.300 -0.044 0.000 0.882 192 V CB 1.470 33.276 31.823 -0.028 0.000 1.002 192 V HN 0.881 nan 8.190 nan 0.000 0.424 193 M N 5.587 125.189 119.600 0.003 0.000 2.157 193 M HA 0.463 4.943 4.480 -0.000 0.000 0.354 193 M C -0.961 175.367 176.300 0.048 0.000 1.170 193 M CA -0.309 55.005 55.300 0.023 0.000 1.060 193 M CB 1.340 33.936 32.600 -0.006 0.000 1.615 193 M HN 0.620 nan 8.290 nan 0.000 0.460 194 D N 4.881 125.328 120.400 0.078 0.000 2.427 194 D HA 0.483 5.123 4.640 -0.000 0.000 0.226 194 D C -1.259 175.064 176.300 0.040 0.000 1.076 194 D CA -0.203 53.845 54.000 0.080 0.000 0.849 194 D CB 0.598 41.482 40.800 0.139 0.000 1.052 194 D HN 0.471 nan 8.370 nan 0.000 0.515 195 I N 2.478 123.063 120.570 0.024 0.000 2.378 195 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 195 I C -0.064 176.054 176.117 0.001 0.000 0.992 195 I CA -1.030 60.272 61.300 0.004 0.000 1.154 195 I CB 1.840 39.839 38.000 -0.002 0.000 1.315 195 I HN 0.216 nan 8.210 nan 0.000 0.448 196 D N 5.319 125.713 120.400 -0.010 0.000 2.365 196 D HA 0.125 4.764 4.640 -0.000 0.000 0.237 196 D C 0.822 177.105 176.300 -0.027 0.000 1.190 196 D CA -0.384 53.608 54.000 -0.012 0.000 0.867 196 D CB 1.162 41.953 40.800 -0.014 0.000 1.050 196 D HN 0.416 nan 8.370 nan 0.000 0.491 197 L N 4.400 125.611 121.223 -0.020 0.000 2.079 197 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 197 L C 2.098 178.943 176.870 -0.042 0.000 1.081 197 L CA 2.282 57.106 54.840 -0.027 0.000 0.752 197 L CB -0.745 41.306 42.059 -0.013 0.000 0.896 197 L HN 0.650 nan 8.230 nan 0.000 0.433 198 G N -1.908 106.871 108.800 -0.035 0.000 2.432 198 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 198 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 198 G C 1.453 176.318 174.900 -0.059 0.000 1.135 198 G CA 0.970 46.046 45.100 -0.039 0.000 0.767 198 G HN 0.582 nan 8.290 nan 0.000 0.550 199 S N -1.889 113.771 115.700 -0.067 0.000 2.520 199 S HA 0.403 4.873 4.470 -0.000 0.000 0.219 199 S C 1.750 176.267 174.600 -0.137 0.000 1.028 199 S CA 1.014 59.161 58.200 -0.088 0.000 0.921 199 S CB 0.463 63.627 63.200 -0.060 0.000 0.844 199 S HN 1.483 nan 8.310 nan 0.000 0.495 200 G N 2.197 110.920 108.800 -0.128 0.000 2.148 200 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 200 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 200 G C 0.169 174.998 174.900 -0.117 0.000 0.981 200 G CA 0.390 45.395 45.100 -0.159 0.000 0.670 200 G HN 1.218 nan 8.290 nan 0.000 0.528 201 T N -1.598 112.907 114.554 -0.082 0.000 2.889 201 T HA 0.815 5.165 4.350 -0.000 0.000 0.291 201 T C 0.134 174.807 174.700 -0.046 0.000 0.995 201 T CA 0.484 62.549 62.100 -0.059 0.000 1.092 201 T CB 2.279 71.121 68.868 -0.043 0.000 0.954 201 T HN 1.780 nan 8.240 nan 0.000 0.506 202 A N 2.396 125.187 122.820 -0.049 0.000 2.435 202 A HA 0.761 5.081 4.320 -0.000 0.000 0.304 202 A C -0.880 176.673 177.584 -0.051 0.000 1.064 202 A CA -0.858 51.154 52.037 -0.042 0.000 0.727 202 A CB 1.940 20.907 19.000 -0.054 0.000 1.284 202 A HN 0.863 nan 8.150 nan 0.000 0.415 203 V N 1.570 121.455 119.914 -0.048 0.000 2.577 203 V HA 0.542 4.662 4.120 -0.000 0.000 0.303 203 V C -0.233 175.757 176.094 -0.173 0.000 1.042 203 V CA -0.339 61.892 62.300 -0.116 0.000 0.872 203 V CB 2.014 33.791 31.823 -0.077 0.000 0.998 203 V HN 0.965 nan 8.190 nan 0.000 0.423 204 T N 4.540 118.948 114.554 -0.243 0.000 2.824 204 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 204 T C -0.655 173.848 174.700 -0.330 0.000 0.995 204 T CA -0.413 61.575 62.100 -0.186 0.000 1.009 204 T CB 0.503 69.317 68.868 -0.091 0.000 0.955 204 T HN 0.621 nan 8.240 nan 0.000 0.452 205 H N 2.246 121.328 119.070 0.021 0.000 2.489 205 H HA 0.389 4.945 4.556 -0.000 0.000 0.343 205 H C 0.018 175.386 175.328 0.066 0.000 1.086 205 H CA -0.714 55.361 56.048 0.045 0.000 1.198 205 H CB 1.653 31.442 29.762 0.045 0.000 1.490 205 H HN 0.318 nan 8.280 nan 0.000 0.504 206 R N 0.927 121.532 120.500 0.174 0.000 2.357 206 R HA 0.130 4.470 4.340 -0.000 0.000 0.296 206 R C 0.722 177.149 176.300 0.212 0.000 1.052 206 R CA -0.095 56.102 56.100 0.161 0.000 0.988 206 R CB 0.796 31.162 30.300 0.110 0.000 1.025 206 R HN 0.697 nan 8.270 nan 0.000 0.469 207 T N -1.728 112.981 114.554 0.258 0.000 3.085 207 T HA 0.154 4.504 4.350 -0.000 0.000 0.264 207 T C -0.277 174.661 174.700 0.398 0.000 1.019 207 T CA -0.565 61.717 62.100 0.304 0.000 0.910 207 T CB 0.101 69.169 68.868 0.333 0.000 1.059 207 T HN 0.661 nan 8.240 nan 0.000 0.542 208 W N 0.503 121.894 121.300 0.152 0.000 3.499 208 W HA 0.536 5.196 4.660 -0.000 0.000 0.288 208 W C -2.187 174.417 176.519 0.142 0.000 1.258 208 W CA -0.450 56.987 57.345 0.153 0.000 1.203 208 W CB 1.100 30.688 29.460 0.214 0.000 1.325 208 W HN -0.001 nan 8.180 nan 0.000 0.564 209 T N 5.016 119.016 114.554 -0.923 0.000 2.982 209 T HA 0.516 4.866 4.350 -0.000 0.000 0.321 209 T C -2.858 171.037 174.700 -1.341 0.000 1.229 209 T CA -1.164 60.427 62.100 -0.849 0.000 1.044 209 T CB 1.452 70.116 68.868 -0.341 0.000 1.184 209 T HN 0.169 nan 8.240 nan 0.000 0.477 210 P HA 0.282 nan 4.420 nan 0.000 0.266 210 P C 0.086 177.181 177.300 -0.342 0.000 1.195 210 P CA -0.039 62.714 63.100 -0.578 0.000 0.768 210 P CB 0.321 31.943 31.700 -0.130 0.000 0.838 211 G N 1.907 110.575 108.800 -0.220 0.000 2.483 211 G HA2 0.226 4.186 3.960 -0.000 0.000 0.248 211 G HA3 0.226 4.186 3.960 -0.000 0.000 0.248 211 G C 0.529 175.378 174.900 -0.085 0.000 1.248 211 G CA -0.431 44.589 45.100 -0.133 0.000 0.838 211 G HN 0.501 nan 8.290 nan 0.000 0.566 212 L N 1.163 122.345 121.223 -0.068 0.000 2.642 212 L HA 0.147 4.487 4.340 -0.000 0.000 0.233 212 L C 1.480 178.332 176.870 -0.031 0.000 1.077 212 L CA 0.087 54.901 54.840 -0.043 0.000 0.879 212 L CB -0.084 41.949 42.059 -0.042 0.000 1.151 212 L HN 0.569 nan 8.230 nan 0.000 0.495 213 S N 0.365 116.046 115.700 -0.032 0.000 2.652 213 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 213 S C -0.039 174.550 174.600 -0.019 0.000 1.243 213 S CA -0.812 57.375 58.200 -0.023 0.000 0.999 213 S CB 1.663 64.850 63.200 -0.021 0.000 0.973 213 S HN 0.071 nan 8.310 nan 0.000 0.544 214 R N 0.568 121.060 120.500 -0.014 0.000 2.740 214 R HA 0.487 4.827 4.340 -0.000 0.000 0.282 214 R C -0.492 175.805 176.300 -0.006 0.000 0.969 214 R CA -0.689 55.405 56.100 -0.010 0.000 0.918 214 R CB 1.797 32.089 30.300 -0.012 0.000 1.175 214 R HN 0.796 nan 8.270 nan 0.000 0.464 215 R N 2.088 122.587 120.500 -0.000 0.000 2.486 215 R HA 0.443 4.783 4.340 -0.000 0.000 0.286 215 R C -0.469 175.836 176.300 0.008 0.000 0.999 215 R CA -0.601 55.501 56.100 0.004 0.000 0.993 215 R CB 0.838 31.143 30.300 0.009 0.000 1.084 215 R HN 0.359 nan 8.270 nan 0.000 0.487 216 I N 5.910 126.485 120.570 0.008 0.000 2.378 216 I HA 0.415 4.584 4.170 -0.000 0.000 0.291 216 I C -0.417 175.710 176.117 0.017 0.000 0.992 216 I CA -0.616 60.689 61.300 0.009 0.000 1.154 216 I CB 1.279 39.280 38.000 0.002 0.000 1.315 216 I HN 0.587 nan 8.210 nan 0.000 0.448 217 L N 7.202 128.440 121.223 0.026 0.000 2.505 217 L HA 0.473 4.813 4.340 -0.000 0.000 0.259 217 L C -2.394 174.504 176.870 0.046 0.000 0.952 217 L CA -1.529 53.333 54.840 0.036 0.000 0.840 217 L CB 3.055 45.141 42.059 0.044 0.000 1.358 217 L HN 0.367 nan 8.230 nan 0.000 0.409 218 P HA 0.131 nan 4.420 nan 0.000 0.272 218 P C 0.041 177.401 177.300 0.100 0.000 1.240 218 P CA -0.252 62.881 63.100 0.055 0.000 0.791 218 P CB 0.949 32.676 31.700 0.046 0.000 0.978 219 E N 1.197 121.477 120.200 0.133 0.000 2.065 219 E HA -0.225 4.125 4.350 -0.000 0.000 0.201 219 E C 2.151 178.886 176.600 0.225 0.000 1.016 219 E CA 1.858 58.419 56.400 0.268 0.000 0.818 219 E CB -0.990 28.916 29.700 0.343 0.000 0.749 219 E HN 0.723 nan 8.360 nan 0.000 0.453 220 G N 1.615 110.508 108.800 0.156 0.000 2.553 220 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.218 220 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.218 220 G C 1.349 176.297 174.900 0.081 0.000 1.195 220 G CA 1.281 46.446 45.100 0.109 0.000 0.779 220 G HN 0.288 nan 8.290 nan 0.000 0.577 221 E N 0.639 120.881 120.200 0.071 0.000 2.106 221 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 221 E C 2.928 179.561 176.600 0.055 0.000 0.984 221 E CA 0.635 57.066 56.400 0.053 0.000 0.806 221 E CB -0.197 29.530 29.700 0.044 0.000 0.750 221 E HN 0.436 nan 8.360 nan 0.000 0.458 222 A N 1.159 124.027 122.820 0.081 0.000 1.902 222 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 222 A C 2.519 180.138 177.584 0.058 0.000 1.181 222 A CA 1.098 53.185 52.037 0.084 0.000 0.623 222 A CB -0.626 18.456 19.000 0.137 0.000 0.818 222 A HN 0.113 nan 8.150 nan 0.000 0.443 223 V N -0.254 119.694 119.914 0.058 0.000 2.427 223 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 223 V C 3.002 179.089 176.094 -0.012 0.000 1.051 223 V CA 1.851 64.142 62.300 -0.016 0.000 1.048 223 V CB -1.064 30.739 31.823 -0.033 0.000 0.666 223 V HN 0.614 nan 8.190 nan 0.000 0.456 224 A N -0.074 122.754 122.820 0.012 0.000 1.897 224 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 224 A C 2.421 180.008 177.584 0.005 0.000 1.181 224 A CA 1.758 53.800 52.037 0.008 0.000 0.620 224 A CB -0.714 18.296 19.000 0.016 0.000 0.821 224 A HN 0.533 nan 8.150 nan 0.000 0.443 225 A N -0.490 122.337 122.820 0.012 0.000 1.902 225 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 225 A C 2.204 179.791 177.584 0.004 0.000 1.181 225 A CA 1.815 53.858 52.037 0.010 0.000 0.623 225 A CB -0.881 18.130 19.000 0.017 0.000 0.818 225 A HN 0.377 nan 8.150 nan 0.000 0.443 226 V N -0.048 119.868 119.914 0.004 0.000 2.427 226 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 226 V C 2.665 178.756 176.094 -0.005 0.000 1.051 226 V CA 2.284 64.586 62.300 0.003 0.000 1.048 226 V CB -0.781 31.042 31.823 -0.000 0.000 0.666 226 V HN 0.644 nan 8.190 nan 0.000 0.456 227 R N 1.239 121.732 120.500 -0.013 0.000 2.066 227 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 227 R C 2.158 178.448 176.300 -0.017 0.000 1.131 227 R CA 1.969 58.059 56.100 -0.016 0.000 0.955 227 R CB -1.013 29.277 30.300 -0.017 0.000 0.851 227 R HN 0.411 nan 8.270 nan 0.000 0.432 228 A N 0.257 123.069 122.820 -0.013 0.000 1.902 228 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 228 A C 2.374 179.946 177.584 -0.021 0.000 1.181 228 A CA 1.788 53.816 52.037 -0.014 0.000 0.623 228 A CB -1.058 17.938 19.000 -0.007 0.000 0.818 228 A HN 0.492 nan 8.150 nan 0.000 0.443 229 A N -0.593 122.215 122.820 -0.021 0.000 1.898 229 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 229 A C 2.143 179.695 177.584 -0.054 0.000 1.181 229 A CA 1.694 53.713 52.037 -0.030 0.000 0.620 229 A CB -0.613 18.375 19.000 -0.020 0.000 0.819 229 A HN 0.646 nan 8.150 nan 0.000 0.442 230 L N -0.213 120.974 121.223 -0.061 0.000 2.056 230 L HA -0.120 4.219 4.340 -0.000 0.000 0.207 230 L C 2.254 179.062 176.870 -0.103 0.000 1.078 230 L CA 2.095 56.867 54.840 -0.112 0.000 0.749 230 L CB -0.533 41.459 42.059 -0.113 0.000 0.901 230 L HN 0.358 nan 8.230 nan 0.000 0.433 231 E N 0.001 120.163 120.200 -0.064 0.000 2.085 231 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 231 E C 2.166 178.734 176.600 -0.053 0.000 0.994 231 E CA 1.470 57.840 56.400 -0.050 0.000 0.801 231 E CB -0.227 29.455 29.700 -0.030 0.000 0.743 231 E HN 0.544 nan 8.360 nan 0.000 0.453 232 K N 0.594 120.965 120.400 -0.048 0.000 2.057 232 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 232 K C 2.104 178.667 176.600 -0.063 0.000 1.049 232 K CA 1.190 57.452 56.287 -0.042 0.000 0.931 232 K CB -0.076 32.406 32.500 -0.029 0.000 0.714 232 K HN 0.050 nan 8.250 nan 0.000 0.440 233 A N 0.547 123.311 122.820 -0.092 0.000 1.972 233 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 233 A C 2.165 179.638 177.584 -0.184 0.000 1.169 233 A CA 1.447 53.398 52.037 -0.143 0.000 0.635 233 A CB -0.401 18.506 19.000 -0.154 0.000 0.810 233 A HN 0.186 nan 8.150 nan 0.000 0.446 234 V N -0.404 119.423 119.914 -0.144 0.000 2.346 234 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 234 V C 3.042 179.087 176.094 -0.081 0.000 1.037 234 V CA 1.638 63.864 62.300 -0.123 0.000 1.029 234 V CB -1.138 30.626 31.823 -0.097 0.000 0.663 234 V HN 0.587 nan 8.190 nan 0.000 0.454 235 A N -0.649 122.137 122.820 -0.057 0.000 1.908 235 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 235 A C 2.135 179.712 177.584 -0.012 0.000 1.181 235 A CA 2.102 54.123 52.037 -0.027 0.000 0.627 235 A CB -0.558 18.430 19.000 -0.020 0.000 0.818 235 A HN 0.624 nan 8.150 nan 0.000 0.445 236 Q N -1.154 118.628 119.800 -0.029 0.000 2.291 236 Q HA -0.075 4.265 4.340 -0.000 0.000 0.206 236 Q C 1.894 177.920 176.000 0.044 0.000 0.976 236 Q CA 1.093 56.911 55.803 0.026 0.000 0.875 236 Q CB -0.038 28.715 28.738 0.026 0.000 0.927 236 Q HN 0.624 nan 8.270 nan 0.000 0.450 237 R N -0.019 120.433 120.500 -0.080 0.000 2.312 237 R HA 0.084 4.424 4.340 -0.000 0.000 0.205 237 R C 0.138 176.484 176.300 0.077 0.000 0.904 237 R CA 0.001 56.080 56.100 -0.036 0.000 1.052 237 R CB 0.817 30.995 30.300 -0.204 0.000 1.014 237 R HN 0.038 nan 8.270 nan 0.000 0.503 238 V N -0.819 119.126 119.914 0.052 0.000 2.427 238 V HA 0.397 4.516 4.120 -0.000 0.000 0.286 238 V C 0.048 176.183 176.094 0.069 0.000 1.034 238 V CA -0.745 61.592 62.300 0.063 0.000 0.893 238 V CB 1.758 33.603 31.823 0.035 0.000 0.982 238 V HN -0.113 nan 8.190 nan 0.000 0.452 239 T N 8.025 122.625 114.554 0.076 0.000 2.814 239 T HA 0.339 4.689 4.350 -0.000 0.000 0.297 239 T C -2.210 172.515 174.700 0.041 0.000 0.956 239 T CA -0.338 61.798 62.100 0.060 0.000 1.123 239 T CB 0.815 69.719 68.868 0.061 0.000 0.902 239 T HN 0.825 nan 8.240 nan 0.000 0.528 240 P HA 0.215 nan 4.420 nan 0.000 0.271 240 P C 0.817 178.128 177.300 0.018 0.000 1.216 240 P CA 0.142 63.254 63.100 0.019 0.000 0.771 240 P CB 0.625 32.333 31.700 0.013 0.000 0.864 241 G N 1.776 110.586 108.800 0.016 0.000 2.141 241 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 241 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 241 G C -0.310 174.605 174.900 0.024 0.000 0.982 241 G CA 0.330 45.440 45.100 0.016 0.000 0.662 241 G HN 0.772 nan 8.290 nan 0.000 0.527 242 D N -0.285 120.134 120.400 0.032 0.000 2.936 242 D HA 0.549 5.189 4.640 -0.000 0.000 0.238 242 D C 0.049 176.379 176.300 0.050 0.000 1.248 242 D CA -0.228 53.798 54.000 0.043 0.000 0.903 242 D CB 1.103 41.934 40.800 0.051 0.000 1.544 242 D HN -0.010 nan 8.370 nan 0.000 0.543 243 T N 5.445 120.031 114.554 0.054 0.000 2.761 243 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 243 T C -2.154 172.590 174.700 0.072 0.000 0.934 243 T CA -0.834 61.303 62.100 0.062 0.000 1.091 243 T CB 1.135 70.041 68.868 0.064 0.000 0.896 243 T HN 0.330 nan 8.240 nan 0.000 0.515 244 P HA 0.449 nan 4.420 nan 0.000 0.280 244 P C -1.018 176.330 177.300 0.080 0.000 1.272 244 P CA -0.878 62.272 63.100 0.084 0.000 0.819 244 P CB 0.966 32.715 31.700 0.081 0.000 1.122 245 L N 0.992 122.262 121.223 0.078 0.000 2.322 245 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 245 L C -1.068 175.843 176.870 0.070 0.000 1.014 245 L CA -0.679 54.201 54.840 0.066 0.000 0.815 245 L CB 1.655 43.741 42.059 0.045 0.000 1.247 245 L HN 0.046 nan 8.230 nan 0.000 0.421 246 V N 5.365 125.325 119.914 0.076 0.000 2.448 246 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 246 V C -0.421 175.729 176.094 0.093 0.000 1.025 246 V CA -0.805 61.547 62.300 0.086 0.000 0.859 246 V CB 2.029 33.905 31.823 0.088 0.000 0.988 246 V HN 0.612 nan 8.190 nan 0.000 0.431 247 V N 4.821 124.794 119.914 0.100 0.000 2.405 247 V HA 0.468 4.588 4.120 -0.000 0.000 0.264 247 V C -0.151 176.004 176.094 0.102 0.000 1.048 247 V CA -0.231 62.119 62.300 0.083 0.000 0.966 247 V CB 0.861 32.725 31.823 0.069 0.000 1.015 247 V HN 0.678 nan 8.190 nan 0.000 0.477 248 L N 5.549 126.842 121.223 0.117 0.000 2.313 248 L HA 0.541 4.881 4.340 -0.000 0.000 0.283 248 L C 0.962 177.910 176.870 0.130 0.000 1.013 248 L CA 0.137 55.052 54.840 0.124 0.000 0.816 248 L CB 2.487 44.624 42.059 0.130 0.000 1.236 248 L HN 0.925 nan 8.230 nan 0.000 0.419 249 S N 1.284 117.043 115.700 0.099 0.000 2.540 249 S HA 0.233 4.703 4.470 -0.000 0.000 0.222 249 S C 1.098 175.740 174.600 0.070 0.000 1.008 249 S CA 0.294 58.546 58.200 0.087 0.000 0.939 249 S CB 0.654 63.890 63.200 0.059 0.000 0.865 249 S HN 1.163 nan 8.310 nan 0.000 0.499 250 G N 0.716 109.552 108.800 0.059 0.000 2.176 250 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.253 250 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.253 250 G C 0.501 175.415 174.900 0.023 0.000 0.979 250 G CA -0.128 44.992 45.100 0.033 0.000 0.641 250 G HN 1.084 nan 8.290 nan 0.000 0.530 251 G N -0.634 108.185 108.800 0.032 0.000 2.599 251 G HA2 0.529 4.489 3.960 -0.000 0.000 0.264 251 G HA3 0.529 4.489 3.960 -0.000 0.000 0.264 251 G C 1.131 176.044 174.900 0.021 0.000 1.200 251 G CA 0.111 45.223 45.100 0.021 0.000 0.896 251 G HN 0.698 nan 8.290 nan 0.000 0.536 252 I N -0.186 120.387 120.570 0.005 0.000 2.315 252 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 252 I C 1.975 178.117 176.117 0.042 0.000 1.117 252 I CA 1.474 62.779 61.300 0.007 0.000 1.404 252 I CB -0.192 37.797 38.000 -0.019 0.000 1.071 252 I HN 0.466 nan 8.210 nan 0.000 0.419 253 D N 0.326 120.731 120.400 0.008 0.000 2.088 253 D HA -0.206 4.434 4.640 -0.000 0.000 0.191 253 D C 2.472 178.933 176.300 0.269 0.000 0.992 253 D CA 2.193 56.211 54.000 0.030 0.000 0.831 253 D CB -0.842 39.869 40.800 -0.148 0.000 0.973 253 D HN 0.507 nan 8.370 nan 0.000 0.447 254 S N 0.155 115.964 115.700 0.182 0.000 2.382 254 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 254 S C 2.157 176.838 174.600 0.136 0.000 1.027 254 S CA 1.391 59.699 58.200 0.179 0.000 0.991 254 S CB -0.428 62.852 63.200 0.134 0.000 0.823 254 S HN 0.055 nan 8.310 nan 0.000 0.469 255 S N 1.762 117.523 115.700 0.102 0.000 2.383 255 S HA 0.090 4.560 4.470 -0.000 0.000 0.227 255 S C 2.140 176.789 174.600 0.081 0.000 1.026 255 S CA 0.968 59.210 58.200 0.069 0.000 0.981 255 S CB -1.068 62.152 63.200 0.033 0.000 0.818 255 S HN 0.765 nan 8.310 nan 0.000 0.472 256 G N 1.353 110.224 108.800 0.118 0.000 2.418 256 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 256 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 256 G C 1.454 176.404 174.900 0.083 0.000 1.158 256 G CA 0.992 46.164 45.100 0.120 0.000 0.771 256 G HN 0.414 nan 8.290 nan 0.000 0.545 257 V N 1.583 121.556 119.914 0.099 0.000 2.295 257 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 257 V C 3.352 179.472 176.094 0.044 0.000 1.049 257 V CA 2.064 64.377 62.300 0.022 0.000 1.024 257 V CB -0.921 30.934 31.823 0.054 0.000 0.648 257 V HN 0.475 nan 8.190 nan 0.000 0.447 258 A N -0.028 122.836 122.820 0.072 0.000 1.908 258 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 258 A C 2.411 180.049 177.584 0.091 0.000 1.181 258 A CA 2.290 54.372 52.037 0.075 0.000 0.627 258 A CB -0.804 18.235 19.000 0.065 0.000 0.818 258 A HN 0.594 nan 8.150 nan 0.000 0.445 259 A N -1.151 121.720 122.820 0.084 0.000 1.902 259 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 259 A C 2.320 179.964 177.584 0.099 0.000 1.181 259 A CA 1.671 53.772 52.037 0.107 0.000 0.623 259 A CB -1.190 17.864 19.000 0.089 0.000 0.818 259 A HN 0.606 nan 8.150 nan 0.000 0.443 260 C N -1.143 118.189 119.300 0.053 0.000 2.453 260 C HA 0.120 4.580 4.460 -0.000 0.000 0.277 260 C C 3.330 178.337 174.990 0.027 0.000 1.262 260 C CA 0.710 59.740 59.018 0.021 0.000 1.718 260 C CB -1.271 26.455 27.740 -0.023 0.000 2.031 260 C HN 0.703 nan 8.230 nan 0.000 0.480 261 A N -0.047 122.797 122.820 0.040 0.000 1.933 261 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 261 A C 1.886 179.518 177.584 0.080 0.000 1.175 261 A CA 2.319 54.384 52.037 0.047 0.000 0.628 261 A CB -0.950 18.082 19.000 0.053 0.000 0.814 261 A HN 0.779 nan 8.150 nan 0.000 0.444 262 H N -0.100 118.979 119.070 0.015 0.000 2.321 262 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 262 H C 2.186 177.519 175.328 0.008 0.000 1.087 262 H CA 2.048 58.105 56.048 0.015 0.000 1.319 262 H CB -0.242 29.530 29.762 0.017 0.000 1.379 262 H HN 0.418 nan 8.280 nan 0.000 0.501 263 R N 0.138 120.588 120.500 -0.084 0.000 2.105 263 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 263 R C 2.239 178.469 176.300 -0.116 0.000 1.135 263 R CA 1.276 57.291 56.100 -0.141 0.000 0.967 263 R CB -0.438 29.840 30.300 -0.038 0.000 0.861 263 R HN 0.443 nan 8.270 nan 0.000 0.442 264 A N 0.356 123.139 122.820 -0.062 0.000 1.897 264 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 264 A C 2.195 179.752 177.584 -0.045 0.000 1.181 264 A CA 1.502 53.514 52.037 -0.042 0.000 0.620 264 A CB -0.435 18.554 19.000 -0.019 0.000 0.821 264 A HN 0.504 nan 8.150 nan 0.000 0.443 265 A N -2.655 120.138 122.820 -0.045 0.000 2.095 265 A HA 0.425 4.745 4.320 -0.000 0.000 0.212 265 A C 1.951 179.496 177.584 -0.065 0.000 1.162 265 A CA 1.304 53.324 52.037 -0.028 0.000 0.753 265 A CB -0.485 18.525 19.000 0.016 0.000 0.840 265 A HN 1.813 nan 8.150 nan 0.000 0.468 266 G N -0.651 108.048 108.800 -0.168 0.000 2.234 266 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 266 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 266 G C 0.025 174.811 174.900 -0.191 0.000 0.997 266 G CA 0.744 45.721 45.100 -0.206 0.000 0.623 266 G HN 1.287 nan 8.290 nan 0.000 0.514 267 E N -1.486 118.702 120.200 -0.020 0.000 2.429 267 E HA 0.784 5.134 4.350 -0.000 0.000 0.280 267 E C -1.663 175.114 176.600 0.295 0.000 1.068 267 E CA -1.198 55.353 56.400 0.251 0.000 0.837 267 E CB 1.728 31.513 29.700 0.142 0.000 1.357 267 E HN 0.927 nan 8.360 nan 0.000 0.455 268 L N 0.860 122.233 121.223 0.249 0.000 2.505 268 L HA 0.535 4.875 4.340 -0.000 0.000 0.259 268 L C -2.125 174.797 176.870 0.086 0.000 0.952 268 L CA -0.289 54.642 54.840 0.152 0.000 0.840 268 L CB 2.340 44.496 42.059 0.161 0.000 1.358 268 L HN 0.638 nan 8.230 nan 0.000 0.409 269 D N 1.620 122.069 120.400 0.081 0.000 2.185 269 D HA 0.785 5.425 4.640 -0.000 0.000 0.247 269 D C -0.592 175.758 176.300 0.083 0.000 1.027 269 D CA 0.149 54.191 54.000 0.071 0.000 0.861 269 D CB 2.052 42.887 40.800 0.058 0.000 1.202 269 D HN 0.712 nan 8.370 nan 0.000 0.453 270 T N -2.229 112.392 114.554 0.113 0.000 2.883 270 T HA 0.754 5.104 4.350 -0.000 0.000 0.296 270 T C -0.913 173.851 174.700 0.107 0.000 1.117 270 T CA -0.957 61.239 62.100 0.160 0.000 1.006 270 T CB 1.696 70.710 68.868 0.243 0.000 1.191 270 T HN 0.177 nan 8.240 nan 0.000 0.508 271 V N 0.442 120.396 119.914 0.066 0.000 2.891 271 V HA 0.721 4.841 4.120 -0.000 0.000 0.304 271 V C -1.456 174.640 176.094 0.003 0.000 1.171 271 V CA -0.341 61.896 62.300 -0.105 0.000 0.943 271 V CB 2.362 34.130 31.823 -0.091 0.000 1.037 271 V HN 1.227 nan 8.190 nan 0.000 0.427 272 S N 7.214 122.886 115.700 -0.047 0.000 2.513 272 S HA 0.699 5.169 4.470 -0.000 0.000 0.299 272 S C -0.762 173.955 174.600 0.195 0.000 1.087 272 S CA -0.548 57.748 58.200 0.160 0.000 1.012 272 S CB 1.694 65.123 63.200 0.381 0.000 1.044 272 S HN 0.812 nan 8.310 nan 0.000 0.485 273 M N 2.805 122.517 119.600 0.186 0.000 2.436 273 M HA 0.683 5.162 4.480 -0.000 0.000 0.331 273 M C -0.230 176.146 176.300 0.127 0.000 1.135 273 M CA -0.252 55.137 55.300 0.149 0.000 0.987 273 M CB 1.161 33.752 32.600 -0.016 0.000 1.687 273 M HN 0.867 nan 8.290 nan 0.000 0.445 274 G N 1.920 110.793 108.800 0.121 0.000 2.680 274 G HA2 0.745 4.705 3.960 -0.000 0.000 0.290 274 G HA3 0.745 4.705 3.960 -0.000 0.000 0.290 274 G C -0.935 173.924 174.900 -0.069 0.000 1.355 274 G CA -0.375 44.617 45.100 -0.180 0.000 0.903 274 G HN 0.798 nan 8.290 nan 0.000 0.474 275 T N -2.791 111.692 114.554 -0.118 0.000 2.807 275 T HA 0.493 4.843 4.350 -0.000 0.000 0.277 275 T C 0.453 175.121 174.700 -0.053 0.000 1.006 275 T CA 0.180 62.243 62.100 -0.062 0.000 1.006 275 T CB 1.848 70.677 68.868 -0.064 0.000 1.274 275 T HN 0.405 nan 8.240 nan 0.000 0.569 276 D N -0.407 119.974 120.400 -0.032 0.000 2.349 276 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 276 D C 1.643 177.925 176.300 -0.031 0.000 1.029 276 D CA 0.893 54.880 54.000 -0.021 0.000 0.879 276 D CB -0.547 40.247 40.800 -0.009 0.000 0.906 276 D HN 0.719 nan 8.370 nan 0.000 0.528 277 T N -4.474 110.054 114.554 -0.044 0.000 2.971 277 T HA 0.296 4.646 4.350 -0.000 0.000 0.252 277 T C 0.575 175.237 174.700 -0.063 0.000 1.022 277 T CA -0.059 62.015 62.100 -0.042 0.000 0.980 277 T CB 0.356 69.206 68.868 -0.031 0.000 1.044 277 T HN 0.113 nan 8.240 nan 0.000 0.501 278 S N 0.809 116.451 115.700 -0.097 0.000 2.597 278 S HA 0.576 5.046 4.470 -0.000 0.000 0.274 278 S C -2.166 172.291 174.600 -0.237 0.000 1.132 278 S CA -0.531 57.588 58.200 -0.135 0.000 0.835 278 S CB 1.306 64.448 63.200 -0.097 0.000 1.092 278 S HN 0.884 nan 8.310 nan 0.000 0.457 279 N N 0.707 119.220 118.700 -0.312 0.000 3.227 279 N HA 0.369 5.109 4.740 -0.000 0.000 0.241 279 N C -1.641 173.637 175.510 -0.387 0.000 1.480 279 N CA -0.772 51.952 53.050 -0.544 0.000 0.886 279 N CB 0.662 38.395 38.487 -1.256 0.000 1.406 279 N HN 0.511 nan 8.380 nan 0.000 0.514 280 E N -0.546 119.445 120.200 -0.348 0.000 2.995 280 E HA 0.236 4.586 4.350 -0.000 0.000 0.203 280 E C -0.089 176.551 176.600 0.067 0.000 0.980 280 E CA -0.354 55.986 56.400 -0.100 0.000 1.172 280 E CB -0.037 29.643 29.700 -0.032 0.000 1.088 280 E HN 0.336 nan 8.360 nan 0.000 0.463 281 F N 1.437 121.405 119.950 0.031 0.000 2.091 281 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 281 F C 2.530 178.349 175.800 0.031 0.000 1.103 281 F CA 1.349 59.381 58.000 0.054 0.000 1.228 281 F CB -0.798 38.233 39.000 0.051 0.000 0.984 281 F HN 0.148 nan 8.300 nan 0.000 0.477 282 R N 0.687 121.311 120.500 0.207 0.000 2.097 282 R HA -0.238 4.102 4.340 -0.000 0.000 0.236 282 R C 2.037 178.377 176.300 0.067 0.000 1.135 282 R CA 2.284 58.448 56.100 0.107 0.000 0.934 282 R CB -0.362 29.977 30.300 0.065 0.000 0.846 282 R HN 0.185 nan 8.270 nan 0.000 0.431 283 E N 0.192 120.425 120.200 0.055 0.000 2.130 283 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 283 E C 1.831 178.446 176.600 0.024 0.000 0.998 283 E CA 1.743 58.160 56.400 0.030 0.000 0.806 283 E CB -0.233 29.481 29.700 0.023 0.000 0.738 283 E HN 0.543 nan 8.360 nan 0.000 0.459 284 A N 0.630 123.483 122.820 0.056 0.000 1.929 284 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 284 A C 2.110 179.630 177.584 -0.106 0.000 1.176 284 A CA 1.484 53.530 52.037 0.014 0.000 0.628 284 A CB -0.342 18.728 19.000 0.117 0.000 0.816 284 A HN 0.076 nan 8.150 nan 0.000 0.444 285 R N 0.523 120.979 120.500 -0.073 0.000 2.105 285 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 285 R C 2.033 178.282 176.300 -0.085 0.000 1.135 285 R CA 1.883 57.910 56.100 -0.122 0.000 0.967 285 R CB -0.846 29.437 30.300 -0.028 0.000 0.861 285 R HN 0.387 nan 8.270 nan 0.000 0.442 286 A N -0.425 122.370 122.820 -0.042 0.000 1.940 286 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 286 A C 2.260 179.830 177.584 -0.023 0.000 1.176 286 A CA 1.837 53.858 52.037 -0.026 0.000 0.631 286 A CB -0.542 18.442 19.000 -0.026 0.000 0.814 286 A HN 0.202 nan 8.150 nan 0.000 0.446 287 V N 0.130 120.016 119.914 -0.046 0.000 2.488 287 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 287 V C 2.695 178.765 176.094 -0.040 0.000 1.046 287 V CA 1.638 63.923 62.300 -0.025 0.000 1.053 287 V CB -0.484 31.319 31.823 -0.033 0.000 0.679 287 V HN 0.594 nan 8.190 nan 0.000 0.458 288 V N -1.503 118.330 119.914 -0.135 0.000 2.515 288 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 288 V C 1.991 178.023 176.094 -0.103 0.000 1.058 288 V CA 2.262 64.458 62.300 -0.174 0.000 1.064 288 V CB -0.756 30.849 31.823 -0.364 0.000 0.675 288 V HN 0.446 nan 8.190 nan 0.000 0.461 289 D N -0.251 120.112 120.400 -0.062 0.000 2.137 289 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 289 D C 2.039 178.331 176.300 -0.013 0.000 0.970 289 D CA 1.950 55.931 54.000 -0.032 0.000 0.837 289 D CB -0.330 40.463 40.800 -0.011 0.000 0.981 289 D HN 0.724 nan 8.370 nan 0.000 0.475 290 H N 0.054 119.081 119.070 -0.072 0.000 2.321 290 H HA -0.062 4.493 4.556 -0.000 0.000 0.300 290 H C 1.625 176.904 175.328 -0.081 0.000 1.087 290 H CA 1.268 57.281 56.048 -0.059 0.000 1.319 290 H CB -0.007 29.726 29.762 -0.047 0.000 1.379 290 H HN -0.034 nan 8.280 nan 0.000 0.501 291 L N 0.348 121.517 121.223 -0.089 0.000 2.446 291 L HA 0.182 4.522 4.340 -0.000 0.000 0.219 291 L C 0.486 177.146 176.870 -0.349 0.000 1.116 291 L CA 0.763 55.445 54.840 -0.263 0.000 0.844 291 L CB -0.253 41.654 42.059 -0.253 0.000 0.970 291 L HN 0.266 nan 8.230 nan 0.000 0.457 292 R N 0.243 120.626 120.500 -0.195 0.000 3.201 292 R HA -0.136 4.204 4.340 -0.000 0.000 0.254 292 R C 0.100 176.315 176.300 -0.142 0.000 0.978 292 R CA 0.719 56.736 56.100 -0.138 0.000 0.661 292 R CB -2.357 27.880 30.300 -0.104 0.000 1.170 292 R HN 0.480 nan 8.270 nan 0.000 0.430 293 T N -2.470 112.011 114.554 -0.121 0.000 2.912 293 T HA 0.399 4.749 4.350 -0.000 0.000 0.280 293 T C 0.380 175.084 174.700 0.006 0.000 0.989 293 T CA -1.098 60.964 62.100 -0.063 0.000 0.995 293 T CB 1.975 70.816 68.868 -0.045 0.000 1.077 293 T HN 0.397 nan 8.240 nan 0.000 0.531 294 R N 1.380 121.904 120.500 0.039 0.000 2.220 294 R HA 0.251 4.591 4.340 -0.000 0.000 0.340 294 R C -0.841 175.518 176.300 0.099 0.000 1.076 294 R CA -0.421 55.711 56.100 0.054 0.000 0.920 294 R CB -0.245 30.080 30.300 0.041 0.000 1.062 294 R HN 0.816 nan 8.270 nan 0.000 0.469 295 H N 2.420 121.472 119.070 -0.030 0.000 2.525 295 H HA 0.496 5.052 4.556 -0.000 0.000 0.340 295 H C -1.030 174.263 175.328 -0.059 0.000 1.168 295 H CA -0.598 55.425 56.048 -0.042 0.000 1.247 295 H CB 1.115 30.847 29.762 -0.050 0.000 1.568 295 H HN 0.534 nan 8.280 nan 0.000 0.536 296 R N 1.723 121.844 120.500 -0.632 0.000 2.548 296 R HA 0.303 4.643 4.340 -0.000 0.000 0.280 296 R C -1.550 174.339 176.300 -0.685 0.000 1.061 296 R CA -0.535 55.277 56.100 -0.479 0.000 0.915 296 R CB 1.001 31.148 30.300 -0.256 0.000 1.210 296 R HN 0.752 nan 8.270 nan 0.000 0.442 297 E N 4.650 124.529 120.200 -0.534 0.000 2.179 297 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 297 E C -0.432 175.963 176.600 -0.343 0.000 0.945 297 E CA -0.751 55.283 56.400 -0.610 0.000 0.792 297 E CB 2.190 31.284 29.700 -1.010 0.000 1.125 297 E HN 0.447 nan 8.360 nan 0.000 0.397 298 I N 1.778 122.259 120.570 -0.148 0.000 2.499 298 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 298 I C -0.646 175.564 176.117 0.155 0.000 1.048 298 I CA -0.576 60.715 61.300 -0.016 0.000 1.062 298 I CB 2.332 40.312 38.000 -0.033 0.000 1.238 298 I HN 0.371 nan 8.210 nan 0.000 0.426 299 T N 7.052 121.681 114.554 0.126 0.000 2.786 299 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 299 T C -0.406 174.324 174.700 0.050 0.000 0.992 299 T CA -0.364 61.825 62.100 0.147 0.000 0.954 299 T CB 1.170 70.141 68.868 0.171 0.000 0.934 299 T HN 0.509 nan 8.240 nan 0.000 0.440 300 I N 1.580 122.162 120.570 0.020 0.000 2.474 300 I HA 0.713 4.883 4.170 -0.000 0.000 0.294 300 I C -3.042 173.066 176.117 -0.015 0.000 1.005 300 I CA -3.147 58.148 61.300 -0.009 0.000 1.113 300 I CB 2.109 40.089 38.000 -0.032 0.000 1.289 300 I HN 0.277 nan 8.210 nan 0.000 0.436 301 P HA 0.127 nan 4.420 nan 0.000 0.268 301 P C 0.470 177.756 177.300 -0.024 0.000 1.208 301 P CA -0.087 63.004 63.100 -0.016 0.000 0.777 301 P CB 0.651 32.344 31.700 -0.012 0.000 0.875 302 T N -0.048 114.492 114.554 -0.022 0.000 2.720 302 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 302 T C 1.833 176.518 174.700 -0.024 0.000 1.037 302 T CA 2.148 64.233 62.100 -0.024 0.000 1.144 302 T CB -0.724 68.134 68.868 -0.017 0.000 0.864 302 T HN 0.539 nan 8.240 nan 0.000 0.444 303 T N 0.847 115.390 114.554 -0.018 0.000 2.720 303 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 303 T C 1.935 176.622 174.700 -0.022 0.000 1.037 303 T CA 1.819 63.910 62.100 -0.015 0.000 1.144 303 T CB -0.239 68.624 68.868 -0.008 0.000 0.864 303 T HN 0.356 nan 8.240 nan 0.000 0.444 304 E N 0.153 120.336 120.200 -0.028 0.000 2.152 304 E HA 0.014 4.363 4.350 -0.000 0.000 0.192 304 E C 1.958 178.525 176.600 -0.055 0.000 0.983 304 E CA 0.595 56.971 56.400 -0.040 0.000 0.818 304 E CB -0.625 29.050 29.700 -0.042 0.000 0.758 304 E HN 0.507 nan 8.360 nan 0.000 0.467 305 L N 0.055 121.244 121.223 -0.056 0.000 1.994 305 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 305 L C 2.085 178.907 176.870 -0.081 0.000 1.071 305 L CA 1.653 56.450 54.840 -0.072 0.000 0.745 305 L CB -0.416 41.603 42.059 -0.066 0.000 0.892 305 L HN 0.233 nan 8.230 nan 0.000 0.431 306 L N -0.475 120.704 121.223 -0.072 0.000 2.265 306 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 306 L C 2.571 179.395 176.870 -0.076 0.000 1.117 306 L CA 0.836 55.618 54.840 -0.098 0.000 0.782 306 L CB -0.854 41.172 42.059 -0.056 0.000 0.914 306 L HN 0.394 nan 8.230 nan 0.000 0.441 307 A N -0.629 122.167 122.820 -0.040 0.000 2.067 307 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 307 A C 2.167 179.776 177.584 0.041 0.000 1.158 307 A CA 0.969 53.005 52.037 -0.001 0.000 0.661 307 A CB -0.210 18.787 19.000 -0.004 0.000 0.801 307 A HN 0.401 nan 8.150 nan 0.000 0.452 308 Q N -0.274 119.522 119.800 -0.006 0.000 2.364 308 Q HA -0.036 4.304 4.340 -0.000 0.000 0.207 308 Q C 1.883 177.934 176.000 0.086 0.000 0.970 308 Q CA 0.490 56.319 55.803 0.043 0.000 0.888 308 Q CB -0.525 28.186 28.738 -0.044 0.000 0.951 308 Q HN 0.720 nan 8.270 nan 0.000 0.469 309 L N 1.397 122.605 121.223 -0.025 0.000 2.011 309 L HA -0.249 4.091 4.340 -0.000 0.000 0.225 309 L C -0.386 176.478 176.870 -0.010 0.000 1.084 309 L CA 2.252 57.041 54.840 -0.085 0.000 0.791 309 L CB -1.665 40.290 42.059 -0.173 0.000 0.898 309 L HN 0.223 nan 8.230 nan 0.000 0.440 310 P HA -0.196 nan 4.420 nan 0.000 0.218 310 P C 1.224 178.461 177.300 -0.106 0.000 1.149 310 P CA 1.629 64.668 63.100 -0.100 0.000 0.817 310 P CB -0.100 31.464 31.700 -0.226 0.000 0.785 311 Y N 0.912 121.189 120.300 -0.039 0.000 2.242 311 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 311 Y C 2.916 178.907 175.900 0.151 0.000 1.137 311 Y CA 1.411 59.552 58.100 0.068 0.000 1.181 311 Y CB -1.399 37.080 38.460 0.032 0.000 0.989 311 Y HN -0.039 nan 8.280 nan 0.000 0.527 312 A N -0.773 122.175 122.820 0.213 0.000 1.930 312 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 312 A C 2.404 180.062 177.584 0.123 0.000 1.175 312 A CA 1.628 53.743 52.037 0.130 0.000 0.627 312 A CB -1.174 17.856 19.000 0.049 0.000 0.815 312 A HN 0.320 nan 8.150 nan 0.000 0.443 313 V N -1.632 118.358 119.914 0.127 0.000 2.453 313 V HA -0.146 3.973 4.120 -0.000 0.000 0.247 313 V C 1.988 178.173 176.094 0.152 0.000 1.048 313 V CA 2.067 64.461 62.300 0.156 0.000 1.049 313 V CB -0.500 31.422 31.823 0.166 0.000 0.672 313 V HN 0.773 nan 8.190 nan 0.000 0.457 314 W N 1.044 122.285 121.300 -0.100 0.000 2.388 314 W HA -0.045 4.614 4.660 -0.000 0.000 0.294 314 W C 2.258 178.713 176.519 -0.107 0.000 1.212 314 W CA 2.362 59.602 57.345 -0.175 0.000 1.271 314 W CB -0.409 28.898 29.460 -0.256 0.000 1.126 314 W HN 0.301 nan 8.180 nan 0.000 0.535 315 A N -0.346 122.485 122.820 0.019 0.000 1.903 315 A HA -0.075 4.245 4.320 -0.000 0.000 0.213 315 A C 2.104 179.634 177.584 -0.090 0.000 1.185 315 A CA 1.999 53.954 52.037 -0.138 0.000 0.628 315 A CB -1.216 17.790 19.000 0.009 0.000 0.830 315 A HN 0.304 nan 8.150 nan 0.000 0.446 316 S N -1.176 114.526 115.700 0.003 0.000 2.425 316 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 316 S C 0.586 175.235 174.600 0.082 0.000 1.024 316 S CA 0.878 59.097 58.200 0.032 0.000 0.951 316 S CB -0.296 62.939 63.200 0.058 0.000 0.796 316 S HN 0.563 nan 8.310 nan 0.000 0.498 317 E N 0.547 120.808 120.200 0.102 0.000 2.513 317 E HA -0.150 4.200 4.350 -0.000 0.000 0.257 317 E C -0.398 176.476 176.600 0.456 0.000 1.098 317 E CA 0.590 57.124 56.400 0.223 0.000 0.752 317 E CB -1.886 27.847 29.700 0.055 0.000 1.324 317 E HN 0.509 nan 8.360 nan 0.000 0.403 318 S N -0.346 115.541 115.700 0.312 0.000 2.593 318 S HA 0.540 5.010 4.470 -0.000 0.000 0.297 318 S C 0.678 175.326 174.600 0.080 0.000 1.112 318 S CA -0.138 58.153 58.200 0.151 0.000 1.043 318 S CB 1.965 65.226 63.200 0.102 0.000 1.054 318 S HN 0.459 nan 8.310 nan 0.000 0.516 319 V N 0.298 120.148 119.914 -0.107 0.000 3.380 319 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 319 V C 0.141 176.204 176.094 -0.053 0.000 1.434 319 V CA -0.296 61.913 62.300 -0.153 0.000 1.075 319 V CB 0.041 31.636 31.823 -0.380 0.000 0.954 319 V HN 0.720 nan 8.190 nan 0.000 0.444 320 D N 3.139 123.534 120.400 -0.008 0.000 2.339 320 D HA 0.291 4.930 4.640 -0.000 0.000 0.241 320 D C -1.048 175.284 176.300 0.054 0.000 1.183 320 D CA -2.116 51.898 54.000 0.024 0.000 0.859 320 D CB 2.208 43.030 40.800 0.038 0.000 1.067 320 D HN 0.187 nan 8.370 nan 0.000 0.484 321 P HA -0.135 nan 4.420 nan 0.000 0.218 321 P C 0.576 177.946 177.300 0.116 0.000 1.148 321 P CA 0.887 64.033 63.100 0.076 0.000 0.822 321 P CB 0.572 32.251 31.700 -0.035 0.000 0.784 322 D N -0.351 120.117 120.400 0.113 0.000 2.183 322 D HA -0.070 4.570 4.640 -0.000 0.000 0.203 322 D C 2.032 178.427 176.300 0.159 0.000 0.969 322 D CA 0.820 54.911 54.000 0.151 0.000 0.842 322 D CB 0.009 40.900 40.800 0.152 0.000 0.957 322 D HN 0.154 nan 8.370 nan 0.000 0.484 323 I N 1.356 122.007 120.570 0.134 0.000 2.277 323 I HA -0.163 4.007 4.170 -0.000 0.000 0.243 323 I C 2.483 178.716 176.117 0.194 0.000 1.094 323 I CA 0.542 61.942 61.300 0.166 0.000 1.393 323 I CB -0.840 37.225 38.000 0.109 0.000 1.078 323 I HN -0.034 nan 8.210 nan 0.000 0.417 324 I N 0.994 121.638 120.570 0.123 0.000 2.163 324 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 324 I C 2.544 178.682 176.117 0.035 0.000 1.085 324 I CA 1.476 62.818 61.300 0.071 0.000 1.347 324 I CB -1.331 36.699 38.000 0.048 0.000 1.044 324 I HN 0.380 nan 8.210 nan 0.000 0.408 325 E N 0.115 120.360 120.200 0.076 0.000 2.153 325 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 325 E C 2.331 178.980 176.600 0.081 0.000 0.988 325 E CA 1.159 57.597 56.400 0.063 0.000 0.811 325 E CB -0.239 29.587 29.700 0.211 0.000 0.746 325 E HN 0.542 nan 8.360 nan 0.000 0.466 326 Y N 0.486 120.799 120.300 0.022 0.000 2.314 326 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 326 Y C 1.573 177.467 175.900 -0.010 0.000 1.129 326 Y CA 1.117 59.227 58.100 0.016 0.000 1.201 326 Y CB 0.022 38.503 38.460 0.033 0.000 0.999 326 Y HN -0.000 nan 8.280 nan 0.000 0.541 327 L N -0.224 120.856 121.223 -0.238 0.000 2.492 327 L HA -0.062 4.278 4.340 -0.000 0.000 0.223 327 L C 2.147 178.883 176.870 -0.224 0.000 1.132 327 L CA 0.118 54.767 54.840 -0.317 0.000 0.850 327 L CB -0.331 41.671 42.059 -0.095 0.000 0.966 327 L HN 0.295 nan 8.230 nan 0.000 0.454 328 L N 0.438 121.558 121.223 -0.171 0.000 1.990 328 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 328 L C -0.073 176.697 176.870 -0.167 0.000 1.072 328 L CA 1.883 56.637 54.840 -0.143 0.000 0.755 328 L CB -1.723 40.253 42.059 -0.139 0.000 0.889 328 L HN 0.249 nan 8.230 nan 0.000 0.432 329 P HA -0.182 nan 4.420 nan 0.000 0.215 329 P C 1.927 179.066 177.300 -0.268 0.000 1.153 329 P CA 1.409 64.389 63.100 -0.199 0.000 0.853 329 P CB 0.051 31.639 31.700 -0.188 0.000 0.788 330 L N -1.505 119.513 121.223 -0.342 0.000 2.083 330 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 330 L C 2.301 178.876 176.870 -0.493 0.000 1.083 330 L CA 1.706 56.237 54.840 -0.514 0.000 0.752 330 L CB -1.494 40.318 42.059 -0.412 0.000 0.899 330 L HN 0.046 nan 8.230 nan 0.000 0.433 331 T N -0.077 114.367 114.554 -0.183 0.000 2.708 331 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 331 T C 2.032 176.692 174.700 -0.067 0.000 1.037 331 T CA 1.336 63.430 62.100 -0.011 0.000 1.146 331 T CB -0.231 68.648 68.868 0.019 0.000 0.865 331 T HN 0.442 nan 8.240 nan 0.000 0.435 332 A N 1.436 124.177 122.820 -0.132 0.000 1.902 332 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 332 A C 2.246 179.749 177.584 -0.134 0.000 1.181 332 A CA 1.345 53.305 52.037 -0.129 0.000 0.623 332 A CB -0.841 18.084 19.000 -0.125 0.000 0.818 332 A HN 0.396 nan 8.150 nan 0.000 0.443 333 L N -1.252 119.838 121.223 -0.221 0.000 2.017 333 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 333 L C 2.278 179.048 176.870 -0.168 0.000 1.073 333 L CA 1.964 56.660 54.840 -0.240 0.000 0.745 333 L CB -1.130 40.705 42.059 -0.373 0.000 0.894 333 L HN 0.462 nan 8.230 nan 0.000 0.432 334 Y N 0.190 120.456 120.300 -0.056 0.000 2.224 334 Y HA -0.139 4.411 4.550 -0.000 0.000 0.289 334 Y C 2.713 178.631 175.900 0.032 0.000 1.146 334 Y CA 1.377 59.459 58.100 -0.030 0.000 1.182 334 Y CB -0.681 37.776 38.460 -0.005 0.000 0.983 334 Y HN 0.217 nan 8.280 nan 0.000 0.524 335 R N -0.549 120.035 120.500 0.139 0.000 2.193 335 R HA 0.085 4.425 4.340 -0.000 0.000 0.213 335 R C 2.088 178.411 176.300 0.039 0.000 1.055 335 R CA 0.758 56.903 56.100 0.075 0.000 0.995 335 R CB -0.241 30.041 30.300 -0.030 0.000 0.893 335 R HN 0.235 nan 8.270 nan 0.000 0.459 336 A N 0.644 123.469 122.820 0.009 0.000 2.218 336 A HA 0.091 4.411 4.320 -0.000 0.000 0.209 336 A C 0.449 178.037 177.584 0.007 0.000 1.168 336 A CA -0.034 51.998 52.037 -0.009 0.000 0.804 336 A CB 0.107 19.083 19.000 -0.039 0.000 0.834 336 A HN 0.022 nan 8.150 nan 0.000 0.482 337 L N 1.524 122.767 121.223 0.032 0.000 2.456 337 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 337 L C -0.555 176.367 176.870 0.087 0.000 1.189 337 L CA 0.512 55.364 54.840 0.021 0.000 0.846 337 L CB 0.405 42.417 42.059 -0.079 0.000 1.111 337 L HN 0.206 nan 8.230 nan 0.000 0.475 338 D N 2.200 122.634 120.400 0.056 0.000 2.481 338 D HA 0.737 5.377 4.640 -0.000 0.000 0.244 338 D C 0.264 176.612 176.300 0.080 0.000 1.057 338 D CA 0.316 54.357 54.000 0.067 0.000 0.848 338 D CB 2.041 42.859 40.800 0.030 0.000 1.388 338 D HN 0.706 nan 8.370 nan 0.000 0.475 339 G N 1.834 110.688 108.800 0.090 0.000 2.409 339 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.421 339 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.421 339 G C -2.530 172.441 174.900 0.119 0.000 1.259 339 G CA -0.989 44.163 45.100 0.088 0.000 1.011 339 G HN 0.485 nan 8.290 nan 0.000 0.497 340 P HA 0.311 nan 4.420 nan 0.000 0.271 340 P C -0.096 177.308 177.300 0.172 0.000 1.233 340 P CA 0.008 63.172 63.100 0.107 0.000 0.789 340 P CB 0.376 32.129 31.700 0.088 0.000 0.951 341 E N 1.040 121.297 120.200 0.095 0.000 2.414 341 E HA 0.093 4.443 4.350 -0.000 0.000 0.263 341 E C 0.266 177.029 176.600 0.271 0.000 1.000 341 E CA -0.027 56.415 56.400 0.069 0.000 0.914 341 E CB 0.411 30.136 29.700 0.042 0.000 0.948 341 E HN 0.230 nan 8.360 nan 0.000 0.444 342 R N 2.074 122.899 120.500 0.542 0.000 2.828 342 R HA 0.403 4.742 4.340 -0.000 0.000 0.264 342 R C -0.206 176.278 176.300 0.306 0.000 1.022 342 R CA -0.995 55.304 56.100 0.332 0.000 1.021 342 R CB 1.201 31.620 30.300 0.199 0.000 1.163 342 R HN 0.488 nan 8.270 nan 0.000 0.494 343 R N 1.920 122.560 120.500 0.234 0.000 2.229 343 R HA 0.442 4.782 4.340 -0.000 0.000 0.332 343 R C -0.666 175.733 176.300 0.167 0.000 0.989 343 R CA -0.232 56.030 56.100 0.269 0.000 0.842 343 R CB 0.285 30.732 30.300 0.245 0.000 1.119 343 R HN 0.539 nan 8.270 nan 0.000 0.456 344 I N 5.852 126.486 120.570 0.106 0.000 2.404 344 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 344 I C -0.333 175.773 176.117 -0.019 0.000 0.992 344 I CA -0.962 60.359 61.300 0.036 0.000 1.149 344 I CB 1.830 39.839 38.000 0.014 0.000 1.315 344 I HN 0.423 nan 8.210 nan 0.000 0.446 345 L N 4.952 126.187 121.223 0.020 0.000 2.334 345 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 345 L C 0.129 177.044 176.870 0.075 0.000 1.014 345 L CA -0.447 54.396 54.840 0.004 0.000 0.815 345 L CB 1.997 44.063 42.059 0.012 0.000 1.268 345 L HN 0.667 nan 8.230 nan 0.000 0.428 346 T N -2.047 112.589 114.554 0.136 0.000 2.907 346 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 346 T C 0.545 175.438 174.700 0.322 0.000 1.066 346 T CA -0.236 62.016 62.100 0.254 0.000 1.012 346 T CB 1.998 71.095 68.868 0.381 0.000 1.184 346 T HN 0.658 nan 8.240 nan 0.000 0.522 347 G N 0.005 109.015 108.800 0.350 0.000 3.434 347 G HA2 0.198 4.158 3.960 -0.000 0.000 0.258 347 G HA3 0.198 4.158 3.960 -0.000 0.000 0.258 347 G C -0.016 175.123 174.900 0.398 0.000 1.128 347 G CA -0.475 44.918 45.100 0.488 0.000 0.792 347 G HN 0.773 nan 8.290 nan 0.000 0.539 348 Y N 0.955 121.416 120.300 0.269 0.000 2.683 348 Y HA 0.304 4.854 4.550 -0.000 0.000 0.340 348 Y C 1.494 177.460 175.900 0.110 0.000 1.245 348 Y CA 1.098 59.266 58.100 0.113 0.000 1.485 348 Y CB 0.858 39.278 38.460 -0.066 0.000 1.328 348 Y HN 0.302 nan 8.280 nan 0.000 0.603 349 G N 2.763 110.777 108.800 -1.310 0.000 2.212 349 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.266 349 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.266 349 G C 1.165 176.006 174.900 -0.099 0.000 0.978 349 G CA 0.641 45.195 45.100 -0.909 0.000 0.632 349 G HN 1.485 nan 8.290 nan 0.000 0.537 350 A N 0.540 123.200 122.820 -0.266 0.000 1.940 350 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 350 A C 1.955 179.395 177.584 -0.240 0.000 1.176 350 A CA 2.238 54.000 52.037 -0.459 0.000 0.631 350 A CB -0.427 17.839 19.000 -1.223 0.000 0.814 350 A HN 0.532 nan 8.150 nan 0.000 0.446 351 D N -0.067 120.215 120.400 -0.196 0.000 2.218 351 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 351 D C 1.855 178.129 176.300 -0.042 0.000 0.976 351 D CA 1.216 55.151 54.000 -0.108 0.000 0.853 351 D CB -0.196 40.548 40.800 -0.093 0.000 0.939 351 D HN 0.576 nan 8.370 nan 0.000 0.481 352 I N 1.922 122.491 120.570 -0.002 0.000 2.090 352 I HA -0.186 3.984 4.170 -0.000 0.000 0.236 352 I C -0.442 175.705 176.117 0.050 0.000 1.064 352 I CA 1.140 62.487 61.300 0.079 0.000 1.324 352 I CB -1.771 36.376 38.000 0.245 0.000 1.044 352 I HN -0.017 nan 8.210 nan 0.000 0.399 353 P HA -0.112 nan 4.420 nan 0.000 0.223 353 P C 1.600 178.884 177.300 -0.027 0.000 1.151 353 P CA 1.504 64.579 63.100 -0.043 0.000 0.787 353 P CB 0.029 31.654 31.700 -0.125 0.000 0.788 354 L N -1.318 119.887 121.223 -0.030 0.000 2.592 354 L HA 0.303 4.643 4.340 -0.000 0.000 0.227 354 L C 1.161 178.031 176.870 -0.002 0.000 1.127 354 L CA 0.369 55.197 54.840 -0.021 0.000 0.884 354 L CB -0.948 41.085 42.059 -0.043 0.000 1.065 354 L HN 0.031 nan 8.230 nan 0.000 0.457 355 G N 0.655 109.457 108.800 0.004 0.000 2.338 355 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 355 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 355 G C 0.953 175.888 174.900 0.058 0.000 1.040 355 G CA 0.237 45.354 45.100 0.028 0.000 1.004 355 G HN 0.498 nan 8.290 nan 0.000 0.509 356 G N -0.339 108.475 108.800 0.023 0.000 2.432 356 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 356 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 356 G C 1.672 176.593 174.900 0.037 0.000 1.135 356 G CA 1.416 46.526 45.100 0.016 0.000 0.767 356 G HN 0.512 nan 8.290 nan 0.000 0.550 357 M N 0.405 120.034 119.600 0.048 0.000 2.558 357 M HA 0.118 4.598 4.480 -0.000 0.000 0.255 357 M C 0.728 177.071 176.300 0.072 0.000 1.113 357 M CA -0.085 55.243 55.300 0.046 0.000 1.097 357 M CB -0.827 31.796 32.600 0.038 0.000 1.426 357 M HN 0.242 nan 8.290 nan 0.000 0.488 358 H N 2.337 121.409 119.070 0.003 0.000 3.026 358 H HA 0.068 4.624 4.556 -0.000 0.000 0.289 358 H C 0.292 175.623 175.328 0.006 0.000 1.022 358 H CA 0.341 56.392 56.048 0.005 0.000 1.477 358 H CB 0.793 30.559 29.762 0.008 0.000 1.510 358 H HN 0.058 nan 8.280 nan 0.000 0.535 359 R N 3.415 123.691 120.500 -0.372 0.000 2.362 359 R HA 0.101 4.441 4.340 -0.000 0.000 0.227 359 R C -0.140 175.987 176.300 -0.288 0.000 0.905 359 R CA 0.016 55.969 56.100 -0.246 0.000 1.067 359 R CB 0.393 30.605 30.300 -0.147 0.000 1.078 359 R HN 0.647 nan 8.270 nan 0.000 0.516 360 E N 0.065 119.938 120.200 -0.544 0.000 2.264 360 E HA 0.212 4.562 4.350 -0.000 0.000 0.260 360 E C 0.058 176.619 176.600 -0.066 0.000 0.961 360 E CA -0.642 55.603 56.400 -0.259 0.000 0.834 360 E CB 1.013 30.589 29.700 -0.207 0.000 1.230 360 E HN -0.209 nan 8.360 nan 0.000 0.412 361 D N 0.297 120.697 120.400 -0.000 0.000 2.323 361 D HA -0.032 4.607 4.640 -0.000 0.000 0.209 361 D C -0.040 176.304 176.300 0.073 0.000 0.973 361 D CA 0.502 54.525 54.000 0.038 0.000 0.874 361 D CB 0.313 41.116 40.800 0.005 0.000 0.930 361 D HN 0.080 nan 8.370 nan 0.000 0.521 362 R N 1.491 122.044 120.500 0.087 0.000 2.351 362 R HA 0.147 4.487 4.340 -0.000 0.000 0.318 362 R C 1.439 177.841 176.300 0.171 0.000 1.055 362 R CA -0.043 56.113 56.100 0.093 0.000 0.968 362 R CB 0.928 31.269 30.300 0.068 0.000 0.974 362 R HN 0.178 nan 8.270 nan 0.000 0.439 363 L N 4.948 126.209 121.223 0.063 0.000 2.156 363 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 363 L C -0.725 176.100 176.870 -0.076 0.000 1.095 363 L CA 0.586 55.412 54.840 -0.023 0.000 0.770 363 L CB -1.257 40.778 42.059 -0.040 0.000 0.914 363 L HN 0.377 nan 8.230 nan 0.000 0.439 364 P HA -0.286 nan 4.420 nan 0.000 0.216 364 P C 1.578 178.856 177.300 -0.036 0.000 1.167 364 P CA 2.212 65.298 63.100 -0.023 0.000 0.914 364 P CB 0.004 31.706 31.700 0.003 0.000 0.793 365 A N -1.203 121.623 122.820 0.010 0.000 2.019 365 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 365 A C 2.220 179.748 177.584 -0.093 0.000 1.164 365 A CA 1.227 53.282 52.037 0.029 0.000 0.644 365 A CB -1.606 17.492 19.000 0.164 0.000 0.805 365 A HN 0.197 nan 8.150 nan 0.000 0.449 366 L N -0.846 120.128 121.223 -0.415 0.000 2.046 366 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 366 L C 1.847 178.599 176.870 -0.198 0.000 1.077 366 L CA 1.978 56.492 54.840 -0.544 0.000 0.747 366 L CB -0.301 41.266 42.059 -0.820 0.000 0.896 366 L HN 0.302 nan 8.230 nan 0.000 0.432 367 D N -0.992 119.325 120.400 -0.139 0.000 2.183 367 D HA -0.131 4.509 4.640 -0.000 0.000 0.203 367 D C 2.045 178.334 176.300 -0.019 0.000 0.969 367 D CA 1.530 55.493 54.000 -0.062 0.000 0.842 367 D CB 0.160 40.931 40.800 -0.049 0.000 0.957 367 D HN 0.366 nan 8.370 nan 0.000 0.484 368 T N 0.533 115.078 114.554 -0.015 0.000 2.674 368 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 368 T C 2.253 176.984 174.700 0.053 0.000 1.039 368 T CA 0.858 62.968 62.100 0.018 0.000 1.150 368 T CB -0.277 68.596 68.868 0.009 0.000 0.864 368 T HN -0.032 nan 8.240 nan 0.000 0.427 369 V N 1.746 121.685 119.914 0.041 0.000 2.358 369 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 369 V C 2.400 178.562 176.094 0.112 0.000 1.047 369 V CA 1.275 63.623 62.300 0.079 0.000 1.035 369 V CB -0.742 31.118 31.823 0.062 0.000 0.658 369 V HN 0.334 nan 8.190 nan 0.000 0.452 370 L N 1.325 122.584 121.223 0.060 0.000 2.017 370 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 370 L C 2.433 179.353 176.870 0.083 0.000 1.073 370 L CA 2.510 57.385 54.840 0.060 0.000 0.745 370 L CB -1.121 40.946 42.059 0.013 0.000 0.894 370 L HN 0.193 nan 8.230 nan 0.000 0.432 371 A N -1.277 121.586 122.820 0.072 0.000 1.902 371 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 371 A C 2.439 180.084 177.584 0.101 0.000 1.181 371 A CA 1.698 53.778 52.037 0.071 0.000 0.623 371 A CB -1.170 17.861 19.000 0.051 0.000 0.818 371 A HN 0.777 nan 8.150 nan 0.000 0.443 372 H N -0.042 119.058 119.070 0.050 0.000 2.321 372 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 372 H C 1.411 176.798 175.328 0.098 0.000 1.087 372 H CA 1.915 57.998 56.048 0.059 0.000 1.319 372 H CB -0.163 29.624 29.762 0.042 0.000 1.379 372 H HN 0.377 nan 8.280 nan 0.000 0.501 373 D N 0.505 120.996 120.400 0.151 0.000 2.104 373 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 373 D C 2.312 178.749 176.300 0.229 0.000 0.994 373 D CA 0.921 55.016 54.000 0.159 0.000 0.830 373 D CB -0.165 40.749 40.800 0.190 0.000 0.959 373 D HN 0.342 nan 8.370 nan 0.000 0.452 374 M N 0.041 119.780 119.600 0.232 0.000 2.374 374 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 374 M C 1.870 178.389 176.300 0.366 0.000 1.067 374 M CA 0.491 56.017 55.300 0.376 0.000 1.103 374 M CB -0.775 31.952 32.600 0.211 0.000 1.402 374 M HN -0.048 nan 8.290 nan 0.000 0.444 375 A N -0.316 122.570 122.820 0.110 0.000 2.251 375 A HA 0.086 4.406 4.320 -0.000 0.000 0.209 375 A C 1.595 179.107 177.584 -0.120 0.000 1.187 375 A CA 1.215 53.241 52.037 -0.018 0.000 0.823 375 A CB -0.548 18.414 19.000 -0.063 0.000 0.846 375 A HN 0.514 nan 8.150 nan 0.000 0.486 376 T N -3.903 110.591 114.554 -0.099 0.000 3.275 376 T HA 0.230 4.580 4.350 -0.000 0.000 0.298 376 T C 0.847 175.531 174.700 -0.026 0.000 0.988 376 T CA 0.241 62.255 62.100 -0.144 0.000 0.936 376 T CB -1.072 67.635 68.868 -0.269 0.000 1.159 376 T HN 0.425 nan 8.240 nan 0.000 0.519 377 F N 0.598 120.577 119.950 0.049 0.000 2.416 377 F HA 0.378 4.905 4.527 -0.000 0.000 0.296 377 F C 0.501 176.316 175.800 0.026 0.000 1.099 377 F CA -0.686 57.345 58.000 0.052 0.000 1.427 377 F CB -0.562 38.524 39.000 0.143 0.000 1.079 377 F HN 0.024 nan 8.300 nan 0.000 0.536 378 D N 0.966 120.963 120.400 -0.671 0.000 2.493 378 D HA 0.323 4.963 4.640 -0.000 0.000 0.240 378 D C 1.324 177.537 176.300 -0.145 0.000 1.142 378 D CA 1.521 55.277 54.000 -0.407 0.000 0.872 378 D CB 0.932 41.442 40.800 -0.483 0.000 1.173 378 D HN 0.567 nan 8.370 nan 0.000 0.467 379 G N 2.729 111.491 108.800 -0.062 0.000 2.234 379 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 379 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 379 G C 1.260 176.169 174.900 0.016 0.000 0.997 379 G CA 0.337 45.427 45.100 -0.018 0.000 0.623 379 G HN 0.512 nan 8.290 nan 0.000 0.514 380 L N 0.245 121.481 121.223 0.021 0.000 2.395 380 L HA 0.116 4.456 4.340 -0.000 0.000 0.218 380 L C 1.492 178.379 176.870 0.029 0.000 1.130 380 L CA 0.793 55.652 54.840 0.032 0.000 0.826 380 L CB -0.423 41.659 42.059 0.038 0.000 0.941 380 L HN 0.285 nan 8.230 nan 0.000 0.451 381 N N 0.278 118.988 118.700 0.017 0.000 2.678 381 N HA -0.251 4.489 4.740 -0.000 0.000 0.249 381 N C 0.948 176.424 175.510 -0.056 0.000 1.119 381 N CA 0.991 54.036 53.050 -0.008 0.000 0.718 381 N CB -1.100 37.411 38.487 0.041 0.000 1.060 381 N HN 0.508 nan 8.380 nan 0.000 0.552 382 E N -0.387 119.763 120.200 -0.083 0.000 2.209 382 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 382 E C 1.451 177.799 176.600 -0.420 0.000 0.993 382 E CA 1.493 57.800 56.400 -0.155 0.000 0.819 382 E CB -0.050 29.582 29.700 -0.113 0.000 0.745 382 E HN 0.732 nan 8.360 nan 0.000 0.477 383 M N -1.051 118.281 119.600 -0.447 0.000 2.692 383 M HA 0.302 4.782 4.480 -0.000 0.000 0.372 383 M C 0.220 176.402 176.300 -0.197 0.000 1.192 383 M CA -0.337 54.624 55.300 -0.564 0.000 0.928 383 M CB 1.075 33.132 32.600 -0.905 0.000 1.366 383 M HN -0.273 nan 8.290 nan 0.000 0.517 384 S N 3.004 118.607 115.700 -0.160 0.000 2.552 384 S HA 0.176 4.646 4.470 -0.000 0.000 0.289 384 S C -1.082 173.424 174.600 -0.156 0.000 1.304 384 S CA -0.796 57.332 58.200 -0.119 0.000 1.063 384 S CB 0.624 63.773 63.200 -0.085 0.000 0.848 384 S HN 0.426 nan 8.310 nan 0.000 0.499 385 P HA -0.052 nan 4.420 nan 0.000 0.223 385 P C 1.427 178.565 177.300 -0.270 0.000 1.151 385 P CA 0.683 63.590 63.100 -0.322 0.000 0.787 385 P CB -0.160 31.345 31.700 -0.324 0.000 0.788 386 V N -0.078 119.721 119.914 -0.192 0.000 2.568 386 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 386 V C 2.597 178.593 176.094 -0.163 0.000 1.072 386 V CA 1.232 63.416 62.300 -0.192 0.000 1.084 386 V CB -1.382 30.334 31.823 -0.179 0.000 0.676 386 V HN 0.011 nan 8.190 nan 0.000 0.469 387 L N 1.179 122.318 121.223 -0.140 0.000 2.043 387 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 387 L C 2.617 179.429 176.870 -0.098 0.000 1.075 387 L CA 2.616 57.425 54.840 -0.051 0.000 0.752 387 L CB -0.912 41.142 42.059 -0.009 0.000 0.891 387 L HN 0.637 nan 8.230 nan 0.000 0.432 388 S N -3.209 112.244 115.700 -0.411 0.000 2.502 388 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 388 S C 1.856 176.275 174.600 -0.302 0.000 1.061 388 S CA 0.552 58.382 58.200 -0.616 0.000 0.935 388 S CB -0.750 61.774 63.200 -1.127 0.000 0.809 388 S HN 0.492 nan 8.310 nan 0.000 0.510 389 T N 2.107 116.445 114.554 -0.359 0.000 3.025 389 T HA 0.003 4.353 4.350 -0.000 0.000 0.270 389 T C 1.673 176.227 174.700 -0.244 0.000 1.126 389 T CA 1.058 62.887 62.100 -0.451 0.000 1.105 389 T CB -0.964 67.451 68.868 -0.756 0.000 0.884 389 T HN 0.449 nan 8.240 nan 0.000 0.522 390 L N -0.180 120.973 121.223 -0.117 0.000 2.275 390 L HA 0.472 4.812 4.340 -0.000 0.000 0.215 390 L C 2.175 179.093 176.870 0.080 0.000 1.119 390 L CA 1.072 55.927 54.840 0.025 0.000 0.790 390 L CB -1.213 40.921 42.059 0.125 0.000 0.919 390 L HN 0.274 nan 8.230 nan 0.000 0.443 391 A N -0.713 122.125 122.820 0.031 0.000 2.465 391 A HA 0.605 4.925 4.320 -0.000 0.000 0.255 391 A C 1.654 179.159 177.584 -0.130 0.000 1.274 391 A CA 0.268 52.333 52.037 0.047 0.000 0.920 391 A CB -0.595 18.515 19.000 0.183 0.000 1.033 391 A HN 0.759 nan 8.150 nan 0.000 0.516 392 G N -0.405 108.292 108.800 -0.172 0.000 2.143 392 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.249 392 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.249 392 G C -0.012 174.690 174.900 -0.331 0.000 0.981 392 G CA 0.372 45.336 45.100 -0.226 0.000 0.665 392 G HN 0.670 nan 8.290 nan 0.000 0.528 393 H N -1.207 117.801 119.070 -0.103 0.000 2.472 393 H HA 0.427 4.983 4.556 -0.000 0.000 0.338 393 H C -0.397 174.858 175.328 -0.122 0.000 1.133 393 H CA -0.575 55.437 56.048 -0.060 0.000 1.216 393 H CB 1.373 31.086 29.762 -0.081 0.000 1.497 393 H HN 0.348 nan 8.280 nan 0.000 0.500 394 W N 4.043 125.328 121.300 -0.024 0.000 2.390 394 W HA 0.264 4.924 4.660 -0.000 0.000 0.312 394 W C -0.842 175.623 176.519 -0.090 0.000 1.123 394 W CA -0.644 56.666 57.345 -0.058 0.000 1.202 394 W CB 1.486 31.050 29.460 0.173 0.000 1.251 394 W HN 0.564 nan 8.180 nan 0.000 0.511 395 T N 2.345 116.373 114.554 -0.876 0.000 2.887 395 T HA 0.534 4.884 4.350 -0.000 0.000 0.288 395 T C -0.637 173.366 174.700 -1.163 0.000 1.021 395 T CA -0.587 61.033 62.100 -0.800 0.000 1.000 395 T CB 2.259 70.756 68.868 -0.618 0.000 1.034 395 T HN 0.371 nan 8.240 nan 0.000 0.467 396 T N 0.676 114.740 114.554 -0.818 0.000 2.903 396 T HA 0.465 4.815 4.350 -0.000 0.000 0.299 396 T C -1.726 172.578 174.700 -0.661 0.000 1.093 396 T CA -0.748 60.961 62.100 -0.653 0.000 1.002 396 T CB 1.049 69.839 68.868 -0.131 0.000 1.127 396 T HN 0.758 nan 8.240 nan 0.000 0.488 397 H N 4.368 123.453 119.070 0.024 0.000 2.791 397 H HA 0.261 4.817 4.556 -0.000 0.000 0.272 397 H C -1.955 173.434 175.328 0.103 0.000 1.188 397 H CA -1.821 54.297 56.048 0.117 0.000 1.436 397 H CB 1.584 31.494 29.762 0.247 0.000 1.467 397 H HN 0.462 nan 8.280 nan 0.000 0.500 398 P HA -0.219 nan 4.420 nan 0.000 0.217 398 P C 0.978 178.225 177.300 -0.089 0.000 1.148 398 P CA 1.350 64.382 63.100 -0.114 0.000 0.828 398 P CB 0.200 31.745 31.700 -0.259 0.000 0.783 399 Y N -2.672 117.727 120.300 0.165 0.000 2.352 399 Y HA -0.071 4.479 4.550 -0.000 0.000 0.292 399 Y C 1.809 177.778 175.900 0.116 0.000 1.136 399 Y CA 0.501 58.679 58.100 0.130 0.000 1.227 399 Y CB -0.698 37.852 38.460 0.149 0.000 0.991 399 Y HN -0.045 nan 8.280 nan 0.000 0.545 400 W N 1.017 122.407 121.300 0.150 0.000 3.325 400 W HA 0.140 4.800 4.660 -0.000 0.000 0.370 400 W C 0.190 176.816 176.519 0.178 0.000 1.169 400 W CA -1.021 56.386 57.345 0.104 0.000 1.874 400 W CB -0.638 28.853 29.460 0.052 0.000 1.076 400 W HN -0.079 nan 8.180 nan 0.000 0.684 401 D N -0.145 120.366 120.400 0.184 0.000 2.423 401 D HA -0.051 4.589 4.640 -0.000 0.000 0.238 401 D C 1.868 178.112 176.300 -0.092 0.000 1.142 401 D CA 0.334 54.387 54.000 0.088 0.000 0.884 401 D CB 1.070 41.853 40.800 -0.030 0.000 1.199 401 D HN -0.045 nan 8.370 nan 0.000 0.438 402 R N 1.560 121.789 120.500 -0.453 0.000 2.091 402 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 402 R C 1.337 177.461 176.300 -0.292 0.000 1.136 402 R CA 1.331 56.940 56.100 -0.818 0.000 0.959 402 R CB 0.037 29.690 30.300 -1.078 0.000 0.856 402 R HN 0.588 nan 8.270 nan 0.000 0.437 403 E N 0.009 120.111 120.200 -0.163 0.000 2.072 403 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 403 E C 2.144 178.712 176.600 -0.053 0.000 0.982 403 E CA 0.969 57.327 56.400 -0.070 0.000 0.803 403 E CB -0.398 29.275 29.700 -0.045 0.000 0.755 403 E HN 0.189 nan 8.360 nan 0.000 0.453 404 V N 1.707 121.582 119.914 -0.065 0.000 2.343 404 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 404 V C 2.464 178.524 176.094 -0.057 0.000 1.051 404 V CA 1.394 63.667 62.300 -0.045 0.000 1.036 404 V CB -0.532 31.264 31.823 -0.045 0.000 0.654 404 V HN 0.134 nan 8.190 nan 0.000 0.451 405 L N 0.343 121.495 121.223 -0.120 0.000 1.994 405 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 405 L C 2.151 178.975 176.870 -0.076 0.000 1.071 405 L CA 2.137 56.850 54.840 -0.212 0.000 0.745 405 L CB -0.953 40.879 42.059 -0.379 0.000 0.892 405 L HN 0.289 nan 8.230 nan 0.000 0.431 406 D N -0.669 119.744 120.400 0.021 0.000 2.116 406 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 406 D C 2.160 178.480 176.300 0.033 0.000 0.998 406 D CA 1.677 55.736 54.000 0.098 0.000 0.836 406 D CB -0.295 40.582 40.800 0.128 0.000 0.951 406 D HN 0.313 nan 8.370 nan 0.000 0.449 407 L N 0.623 121.852 121.223 0.010 0.000 1.994 407 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 407 L C 2.260 179.132 176.870 0.003 0.000 1.071 407 L CA 1.499 56.344 54.840 0.008 0.000 0.745 407 L CB -0.723 41.339 42.059 0.005 0.000 0.892 407 L HN 0.036 nan 8.230 nan 0.000 0.431 408 L N -1.692 119.526 121.223 -0.009 0.000 2.046 408 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 408 L C 2.467 179.325 176.870 -0.021 0.000 1.077 408 L CA 1.076 55.910 54.840 -0.012 0.000 0.747 408 L CB -0.819 41.227 42.059 -0.021 0.000 0.896 408 L HN 0.122 nan 8.230 nan 0.000 0.432 409 V N 0.181 120.073 119.914 -0.038 0.000 2.332 409 V HA -0.299 3.820 4.120 -0.000 0.000 0.248 409 V C 2.773 178.860 176.094 -0.013 0.000 1.055 409 V CA 2.147 64.429 62.300 -0.029 0.000 1.038 409 V CB -0.609 31.201 31.823 -0.022 0.000 0.651 409 V HN 0.668 nan 8.190 nan 0.000 0.450 410 S N -0.441 115.257 115.700 -0.004 0.000 2.402 410 S HA -0.009 4.461 4.470 -0.000 0.000 0.229 410 S C 0.913 175.513 174.600 0.001 0.000 1.021 410 S CA 0.364 58.563 58.200 -0.002 0.000 0.974 410 S CB -0.743 62.460 63.200 0.004 0.000 0.800 410 S HN 0.461 nan 8.310 nan 0.000 0.484 411 L N 3.004 124.231 121.223 0.008 0.000 2.525 411 L HA 0.121 4.461 4.340 -0.000 0.000 0.278 411 L C 0.581 177.457 176.870 0.009 0.000 1.218 411 L CA -0.326 54.524 54.840 0.017 0.000 0.878 411 L CB -0.052 42.027 42.059 0.033 0.000 1.127 411 L HN 0.481 nan 8.230 nan 0.000 0.492 412 E N 2.207 122.411 120.200 0.008 0.000 2.413 412 E HA 0.112 4.462 4.350 -0.000 0.000 0.263 412 E C 0.923 177.518 176.600 -0.008 0.000 1.015 412 E CA 0.244 56.640 56.400 -0.005 0.000 0.916 412 E CB 0.844 30.540 29.700 -0.008 0.000 0.947 412 E HN 0.602 nan 8.360 nan 0.000 0.440 413 A N 3.856 126.660 122.820 -0.026 0.000 1.997 413 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 413 A C 2.124 179.690 177.584 -0.031 0.000 1.172 413 A CA 1.973 53.986 52.037 -0.041 0.000 0.645 413 A CB -1.414 17.541 19.000 -0.075 0.000 0.813 413 A HN 0.845 nan 8.150 nan 0.000 0.454 414 G N -1.098 107.678 108.800 -0.039 0.000 2.535 414 G HA2 0.005 3.965 3.960 -0.000 0.000 0.218 414 G HA3 0.005 3.965 3.960 -0.000 0.000 0.218 414 G C 1.274 176.135 174.900 -0.065 0.000 1.122 414 G CA 0.854 45.914 45.100 -0.067 0.000 0.769 414 G HN 0.483 nan 8.290 nan 0.000 0.549 415 L N -1.238 119.995 121.223 0.017 0.000 2.590 415 L HA 0.250 4.590 4.340 -0.000 0.000 0.227 415 L C 2.486 179.490 176.870 0.224 0.000 1.099 415 L CA 0.264 55.184 54.840 0.133 0.000 0.872 415 L CB 0.239 42.386 42.059 0.146 0.000 1.088 415 L HN 0.127 nan 8.230 nan 0.000 0.479 416 K N -0.127 120.345 120.400 0.120 0.000 2.244 416 K HA 0.048 4.368 4.320 -0.000 0.000 0.200 416 K C 0.650 177.334 176.600 0.140 0.000 1.052 416 K CA 0.136 56.495 56.287 0.119 0.000 0.980 416 K CB 0.454 32.981 32.500 0.046 0.000 0.838 416 K HN -0.127 nan 8.250 nan 0.000 0.481 417 R N 1.652 122.205 120.500 0.089 0.000 2.358 417 R HA 0.282 4.622 4.340 -0.000 0.000 0.309 417 R C -1.482 174.808 176.300 -0.016 0.000 1.026 417 R CA -0.358 55.793 56.100 0.086 0.000 0.909 417 R CB 0.517 30.878 30.300 0.102 0.000 1.153 417 R HN -0.078 nan 8.270 nan 0.000 0.515 418 R N 1.930 122.399 120.500 -0.052 0.000 2.668 418 R HA 0.287 4.627 4.340 -0.000 0.000 0.272 418 R C -0.687 175.369 176.300 -0.407 0.000 1.019 418 R CA -0.644 55.197 56.100 -0.431 0.000 0.894 418 R CB 0.950 30.753 30.300 -0.828 0.000 1.228 418 R HN 0.795 nan 8.270 nan 0.000 0.460 419 H N 1.502 120.396 119.070 -0.293 0.000 2.776 419 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 419 H C 0.810 176.109 175.328 -0.048 0.000 1.161 419 H CA 1.527 57.465 56.048 -0.183 0.000 1.147 419 H CB -1.295 28.326 29.762 -0.234 0.000 1.366 419 H HN 1.087 nan 8.280 nan 0.000 0.397 420 G N -0.271 108.551 108.800 0.036 0.000 2.168 420 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.263 420 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.263 420 G C 0.342 175.296 174.900 0.090 0.000 0.977 420 G CA 0.660 45.793 45.100 0.054 0.000 0.659 420 G HN 0.619 nan 8.290 nan 0.000 0.533 421 R N 0.529 121.115 120.500 0.143 0.000 2.637 421 R HA 0.535 4.875 4.340 -0.000 0.000 0.291 421 R C -0.285 176.126 176.300 0.186 0.000 0.963 421 R CA -0.355 55.856 56.100 0.186 0.000 0.901 421 R CB 1.089 31.571 30.300 0.303 0.000 1.160 421 R HN 0.460 nan 8.270 nan 0.000 0.457 422 D N 0.808 121.290 120.400 0.136 0.000 2.313 422 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 422 D C -0.606 175.767 176.300 0.121 0.000 1.094 422 D CA -0.715 53.357 54.000 0.120 0.000 0.925 422 D CB 0.643 41.490 40.800 0.077 0.000 1.188 422 D HN 0.352 nan 8.370 nan 0.000 0.430 423 K N 0.131 120.593 120.400 0.104 0.000 3.078 423 K HA -0.280 4.040 4.320 -0.000 0.000 0.261 423 K C 0.015 176.663 176.600 0.081 0.000 0.947 423 K CA 0.466 56.792 56.287 0.065 0.000 0.702 423 K CB -1.331 31.167 32.500 -0.004 0.000 1.318 423 K HN 0.699 nan 8.250 nan 0.000 0.473 424 W N 0.582 121.894 121.300 0.020 0.000 2.318 424 W HA -0.283 4.377 4.660 -0.000 0.000 0.313 424 W C 1.938 178.482 176.519 0.041 0.000 1.221 424 W CA 2.048 59.416 57.345 0.039 0.000 1.266 424 W CB -0.388 29.099 29.460 0.044 0.000 1.150 424 W HN 0.173 nan 8.180 nan 0.000 0.496 425 V N 1.189 121.083 119.914 -0.034 0.000 2.594 425 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 425 V C 2.017 177.934 176.094 -0.294 0.000 1.069 425 V CA 2.113 64.258 62.300 -0.259 0.000 1.082 425 V CB -0.618 31.239 31.823 0.056 0.000 0.680 425 V HN 0.292 nan 8.190 nan 0.000 0.469 426 L N 0.049 121.163 121.223 -0.183 0.000 2.162 426 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 426 L C 2.510 179.280 176.870 -0.167 0.000 1.086 426 L CA 1.626 56.398 54.840 -0.114 0.000 0.778 426 L CB -0.734 41.299 42.059 -0.043 0.000 0.928 426 L HN 0.194 nan 8.230 nan 0.000 0.446 427 R N -0.286 120.071 120.500 -0.238 0.000 2.073 427 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 427 R C 2.271 178.386 176.300 -0.308 0.000 1.134 427 R CA 1.341 57.306 56.100 -0.225 0.000 0.952 427 R CB -0.718 29.462 30.300 -0.201 0.000 0.850 427 R HN 0.490 nan 8.270 nan 0.000 0.433 428 A N 1.393 123.862 122.820 -0.585 0.000 1.902 428 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 428 A C 2.392 179.795 177.584 -0.302 0.000 1.181 428 A CA 1.706 53.408 52.037 -0.559 0.000 0.623 428 A CB -0.698 17.631 19.000 -1.118 0.000 0.818 428 A HN 0.406 nan 8.150 nan 0.000 0.443 429 A N -1.239 121.420 122.820 -0.270 0.000 1.978 429 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 429 A C 1.828 179.364 177.584 -0.081 0.000 1.170 429 A CA 1.929 53.884 52.037 -0.136 0.000 0.636 429 A CB -0.337 18.605 19.000 -0.095 0.000 0.810 429 A HN 0.428 nan 8.150 nan 0.000 0.448 430 M N -1.072 118.479 119.600 -0.083 0.000 2.356 430 M HA 0.320 4.800 4.480 -0.000 0.000 0.262 430 M C 1.879 178.151 176.300 -0.047 0.000 1.097 430 M CA 0.379 55.654 55.300 -0.041 0.000 0.991 430 M CB -0.985 31.605 32.600 -0.018 0.000 1.450 430 M HN 0.406 nan 8.290 nan 0.000 0.495 431 A N 1.536 124.314 122.820 -0.071 0.000 2.024 431 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 431 A C 1.463 179.032 177.584 -0.025 0.000 1.164 431 A CA 2.184 54.186 52.037 -0.058 0.000 0.643 431 A CB -0.735 18.225 19.000 -0.066 0.000 0.806 431 A HN 0.580 nan 8.150 nan 0.000 0.451 432 D N -2.000 118.397 120.400 -0.005 0.000 2.342 432 D HA 0.438 5.078 4.640 -0.000 0.000 0.221 432 D C 0.633 176.971 176.300 0.064 0.000 1.101 432 D CA 0.691 54.706 54.000 0.026 0.000 0.837 432 D CB 0.171 40.984 40.800 0.021 0.000 0.938 432 D HN 0.264 nan 8.370 nan 0.000 0.508 433 A N -0.103 122.757 122.820 0.067 0.000 2.600 433 A HA 0.483 4.803 4.320 -0.000 0.000 0.252 433 A C -0.002 177.687 177.584 0.175 0.000 1.200 433 A CA -0.267 51.852 52.037 0.136 0.000 0.981 433 A CB 0.337 19.391 19.000 0.090 0.000 1.207 433 A HN 0.207 nan 8.150 nan 0.000 0.577 434 L N 0.152 121.361 121.223 -0.023 0.000 2.479 434 L HA 0.455 4.795 4.340 -0.000 0.000 0.255 434 L C -2.678 173.859 176.870 -0.554 0.000 1.026 434 L CA -2.435 52.195 54.840 -0.350 0.000 0.842 434 L CB 2.554 44.520 42.059 -0.155 0.000 1.444 434 L HN -0.077 nan 8.230 nan 0.000 0.409 435 P HA 0.020 nan 4.420 nan 0.000 0.268 435 P C 0.229 177.415 177.300 -0.190 0.000 1.204 435 P CA -0.071 62.789 63.100 -0.401 0.000 0.768 435 P CB 1.236 32.760 31.700 -0.294 0.000 0.842 436 A N 3.345 126.097 122.820 -0.113 0.000 1.958 436 A HA -0.261 4.058 4.320 -0.000 0.000 0.221 436 A C 2.239 179.792 177.584 -0.052 0.000 1.178 436 A CA 2.116 54.115 52.037 -0.063 0.000 0.642 436 A CB -1.305 17.675 19.000 -0.033 0.000 0.816 436 A HN 0.703 nan 8.150 nan 0.000 0.453 437 E N -0.891 119.277 120.200 -0.054 0.000 2.058 437 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 437 E C 1.939 178.515 176.600 -0.039 0.000 0.997 437 E CA 1.820 58.198 56.400 -0.037 0.000 0.801 437 E CB -0.199 29.481 29.700 -0.034 0.000 0.746 437 E HN 0.582 nan 8.360 nan 0.000 0.450 438 T N 0.165 114.682 114.554 -0.062 0.000 2.821 438 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 438 T C 1.879 176.552 174.700 -0.045 0.000 1.046 438 T CA 1.148 63.216 62.100 -0.054 0.000 1.139 438 T CB -0.030 68.791 68.868 -0.078 0.000 0.871 438 T HN 0.035 nan 8.240 nan 0.000 0.454 439 V N 2.103 121.983 119.914 -0.057 0.000 2.548 439 V HA -0.064 4.056 4.120 -0.000 0.000 0.249 439 V C 2.244 178.322 176.094 -0.026 0.000 1.055 439 V CA 1.569 63.840 62.300 -0.050 0.000 1.065 439 V CB -0.579 31.206 31.823 -0.063 0.000 0.681 439 V HN 0.475 nan 8.190 nan 0.000 0.462 440 N N 0.260 118.952 118.700 -0.013 0.000 2.405 440 N HA -0.056 4.684 4.740 -0.000 0.000 0.175 440 N C 1.203 176.721 175.510 0.014 0.000 1.051 440 N CA -0.001 53.056 53.050 0.011 0.000 0.899 440 N CB -0.056 38.438 38.487 0.013 0.000 1.000 440 N HN 0.297 nan 8.380 nan 0.000 0.451 441 R N 2.098 122.599 120.500 0.002 0.000 2.507 441 R HA 0.041 4.381 4.340 -0.000 0.000 0.341 441 R C -2.149 174.156 176.300 0.009 0.000 0.960 441 R CA -1.094 55.008 56.100 0.003 0.000 1.032 441 R CB 0.083 30.381 30.300 -0.003 0.000 0.933 441 R HN 0.249 nan 8.270 nan 0.000 0.418 442 P HA -0.007 nan 4.420 nan 0.000 0.269 442 P C -0.559 176.748 177.300 0.011 0.000 1.215 442 P CA -0.106 63.005 63.100 0.019 0.000 0.780 442 P CB 0.835 32.548 31.700 0.022 0.000 0.898 455 S N 0.452 116.195 115.700 0.073 0.000 2.402 455 S HA 0.019 4.489 4.470 -0.000 0.000 0.229 455 S C 1.242 175.928 174.600 0.144 0.000 1.021 455 S CA 1.189 59.432 58.200 0.070 0.000 0.974 455 S CB -0.615 62.610 63.200 0.042 0.000 0.800 455 S HN 0.630 nan 8.310 nan 0.000 0.484 456 F N 2.745 122.681 119.950 -0.024 0.000 2.186 456 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 456 F C 2.381 178.165 175.800 -0.028 0.000 1.090 456 F CA 0.624 58.608 58.000 -0.027 0.000 1.307 456 F CB -0.999 37.992 39.000 -0.015 0.000 1.019 456 F HN 0.085 nan 8.300 nan 0.000 0.489 457 S N 0.645 116.341 115.700 -0.006 0.000 2.356 457 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 457 S C 2.135 176.688 174.600 -0.078 0.000 1.032 457 S CA 0.804 58.937 58.200 -0.112 0.000 1.005 457 S CB -0.261 62.915 63.200 -0.041 0.000 0.867 457 S HN 0.291 nan 8.310 nan 0.000 0.449 458 R N 1.210 121.698 120.500 -0.021 0.000 2.112 458 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 458 R C 2.361 178.626 176.300 -0.059 0.000 1.137 458 R CA 1.326 57.410 56.100 -0.027 0.000 0.944 458 R CB -1.143 29.152 30.300 -0.009 0.000 0.857 458 R HN 0.431 nan 8.270 nan 0.000 0.435 459 L N 0.631 121.816 121.223 -0.063 0.000 2.240 459 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 459 L C 1.958 178.657 176.870 -0.285 0.000 1.106 459 L CA 1.416 56.153 54.840 -0.172 0.000 0.793 459 L CB -0.817 41.172 42.059 -0.117 0.000 0.927 459 L HN 0.148 nan 8.230 nan 0.000 0.446 460 L N 0.026 121.160 121.223 -0.147 0.000 2.017 460 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 460 L C 2.810 179.655 176.870 -0.041 0.000 1.073 460 L CA 1.222 56.004 54.840 -0.097 0.000 0.745 460 L CB -0.558 41.392 42.059 -0.181 0.000 0.894 460 L HN 0.266 nan 8.230 nan 0.000 0.432 461 L N -0.511 120.678 121.223 -0.056 0.000 2.141 461 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 461 L C 1.671 178.542 176.870 0.001 0.000 1.094 461 L CA 0.811 55.637 54.840 -0.024 0.000 0.763 461 L CB -0.447 41.595 42.059 -0.028 0.000 0.908 461 L HN 0.278 nan 8.230 nan 0.000 0.437 462 D N -1.557 118.832 120.400 -0.019 0.000 2.349 462 D HA -0.055 4.585 4.640 -0.000 0.000 0.224 462 D C 0.977 177.361 176.300 0.139 0.000 1.029 462 D CA 0.821 54.831 54.000 0.016 0.000 0.879 462 D CB 0.003 40.783 40.800 -0.033 0.000 0.906 462 D HN 0.469 nan 8.370 nan 0.000 0.528 463 H N -0.674 118.396 119.070 -0.001 0.000 2.472 463 H HA 0.309 4.865 4.556 -0.000 0.000 0.287 463 H C 0.597 175.922 175.328 -0.005 0.000 1.112 463 H CA -0.406 55.642 56.048 0.001 0.000 1.021 463 H CB 0.572 30.337 29.762 0.005 0.000 1.635 463 H HN 0.036 nan 8.280 nan 0.000 0.559 464 G N 1.374 110.234 108.800 0.101 0.000 2.324 464 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 464 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 464 G C -0.433 174.487 174.900 0.034 0.000 1.079 464 G CA 0.237 45.365 45.100 0.047 0.000 1.026 464 G HN 0.255 nan 8.290 nan 0.000 0.506 465 V N 0.260 120.191 119.914 0.028 0.000 2.447 465 V HA 0.760 4.880 4.120 -0.000 0.000 0.292 465 V C 0.687 176.779 176.094 -0.004 0.000 1.021 465 V CA -0.528 61.777 62.300 0.008 0.000 0.850 465 V CB 1.306 33.129 31.823 -0.000 0.000 1.005 465 V HN 1.302 nan 8.190 nan 0.000 0.426 466 A N 3.304 126.121 122.820 -0.004 0.000 2.346 466 A HA 0.469 4.789 4.320 -0.000 0.000 0.252 466 A C 0.400 177.978 177.584 -0.011 0.000 1.089 466 A CA -0.189 51.844 52.037 -0.006 0.000 0.797 466 A CB 0.353 19.351 19.000 -0.004 0.000 1.047 466 A HN 0.868 nan 8.150 nan 0.000 0.494 467 E N 0.485 120.679 120.200 -0.011 0.000 2.136 467 E HA 0.199 4.549 4.350 -0.000 0.000 0.246 467 E C -0.938 175.658 176.600 -0.007 0.000 1.017 467 E CA -0.214 56.179 56.400 -0.011 0.000 0.883 467 E CB 0.016 29.708 29.700 -0.014 0.000 1.199 467 E HN 0.651 nan 8.360 nan 0.000 0.447 468 D N 2.480 122.878 120.400 -0.004 0.000 2.266 468 D HA 0.070 4.710 4.640 -0.000 0.000 0.304 468 D C 1.260 177.567 176.300 0.011 0.000 1.080 468 D CA -0.071 53.928 54.000 -0.001 0.000 0.850 468 D CB 0.508 41.305 40.800 -0.004 0.000 1.515 468 D HN 0.312 nan 8.370 nan 0.000 0.531 469 R N 0.778 121.283 120.500 0.007 0.000 2.206 469 R HA 0.097 4.437 4.340 -0.000 0.000 0.198 469 R C 2.230 178.526 176.300 -0.006 0.000 0.986 469 R CA 0.174 56.277 56.100 0.005 0.000 1.029 469 R CB 0.191 30.489 30.300 -0.004 0.000 0.966 469 R HN -0.078 nan 8.270 nan 0.000 0.487 470 V N 1.139 121.041 119.914 -0.019 0.000 2.380 470 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 470 V C 2.033 178.075 176.094 -0.086 0.000 1.063 470 V CA 2.395 64.655 62.300 -0.067 0.000 1.055 470 V CB -0.369 31.413 31.823 -0.068 0.000 0.657 470 V HN 0.360 nan 8.190 nan 0.000 0.455 471 H N 0.140 119.155 119.070 -0.091 0.000 2.299 471 H HA -0.142 4.414 4.556 -0.000 0.000 0.302 471 H C 2.183 177.474 175.328 -0.061 0.000 1.078 471 H CA 2.174 58.176 56.048 -0.078 0.000 1.323 471 H CB -0.109 29.628 29.762 -0.042 0.000 1.381 471 H HN 0.547 nan 8.280 nan 0.000 0.498 472 E N 0.266 120.496 120.200 0.050 0.000 2.204 472 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 472 E C 2.052 178.623 176.600 -0.049 0.000 0.990 472 E CA 1.062 57.467 56.400 0.008 0.000 0.821 472 E CB -0.402 29.317 29.700 0.032 0.000 0.750 472 E HN 0.556 nan 8.360 nan 0.000 0.477 473 A N 0.714 123.487 122.820 -0.078 0.000 1.897 473 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 473 A C 2.015 179.526 177.584 -0.120 0.000 1.181 473 A CA 1.512 53.497 52.037 -0.086 0.000 0.620 473 A CB -0.325 18.614 19.000 -0.101 0.000 0.821 473 A HN 0.196 nan 8.150 nan 0.000 0.443 474 K N -0.651 119.602 120.400 -0.245 0.000 2.103 474 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 474 K C 2.315 178.899 176.600 -0.027 0.000 1.048 474 K CA 1.496 57.640 56.287 -0.237 0.000 0.930 474 K CB -0.160 32.088 32.500 -0.419 0.000 0.716 474 K HN 0.480 nan 8.250 nan 0.000 0.444 475 R N 1.410 121.849 120.500 -0.101 0.000 2.092 475 R HA -0.129 4.210 4.340 -0.000 0.000 0.231 475 R C 1.986 178.286 176.300 -0.001 0.000 1.119 475 R CA 1.396 57.468 56.100 -0.045 0.000 0.970 475 R CB 0.099 30.368 30.300 -0.053 0.000 0.864 475 R HN 0.258 nan 8.270 nan 0.000 0.440 476 Q N -0.387 119.413 119.800 -0.000 0.000 2.187 476 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 476 Q C 2.119 178.148 176.000 0.049 0.000 0.957 476 Q CA 1.204 57.018 55.803 0.017 0.000 0.857 476 Q CB 0.291 29.034 28.738 0.009 0.000 0.929 476 Q HN 0.187 nan 8.270 nan 0.000 0.453 477 V N 0.194 120.155 119.914 0.078 0.000 2.270 477 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 477 V C 2.230 178.402 176.094 0.129 0.000 1.043 477 V CA 1.438 63.817 62.300 0.132 0.000 1.014 477 V CB -0.461 31.514 31.823 0.253 0.000 0.645 477 V HN 0.163 nan 8.190 nan 0.000 0.447 478 V N 0.066 120.066 119.914 0.143 0.000 2.287 478 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 478 V C 2.623 178.785 176.094 0.112 0.000 1.053 478 V CA 2.415 64.787 62.300 0.120 0.000 1.027 478 V CB -0.825 31.062 31.823 0.107 0.000 0.646 478 V HN 0.462 nan 8.190 nan 0.000 0.447 479 R N 0.551 121.091 120.500 0.067 0.000 2.091 479 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 479 R C 2.196 178.561 176.300 0.108 0.000 1.136 479 R CA 2.128 58.255 56.100 0.045 0.000 0.959 479 R CB -0.581 29.720 30.300 0.002 0.000 0.856 479 R HN 0.594 nan 8.270 nan 0.000 0.437 480 E N 0.054 120.307 120.200 0.088 0.000 2.047 480 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 480 E C 1.914 178.569 176.600 0.091 0.000 0.987 480 E CA 1.600 58.048 56.400 0.080 0.000 0.799 480 E CB -0.352 29.382 29.700 0.057 0.000 0.752 480 E HN 0.415 nan 8.360 nan 0.000 0.449 481 L N -0.262 121.016 121.223 0.091 0.000 2.012 481 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 481 L C 2.427 179.351 176.870 0.091 0.000 1.073 481 L CA 1.541 56.418 54.840 0.061 0.000 0.748 481 L CB -0.625 41.465 42.059 0.052 0.000 0.891 481 L HN 0.197 nan 8.230 nan 0.000 0.431 482 F N 1.402 121.355 119.950 0.006 0.000 2.095 482 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 482 F C 2.208 178.010 175.800 0.002 0.000 1.104 482 F CA 1.895 59.901 58.000 0.011 0.000 1.232 482 F CB -0.275 38.728 39.000 0.005 0.000 0.987 482 F HN 0.118 nan 8.300 nan 0.000 0.475 483 D N 0.508 121.081 120.400 0.289 0.000 2.133 483 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 483 D C 2.403 178.720 176.300 0.029 0.000 0.997 483 D CA 1.783 55.881 54.000 0.163 0.000 0.840 483 D CB -0.514 40.358 40.800 0.120 0.000 0.947 483 D HN 0.338 nan 8.370 nan 0.000 0.452 484 L N 0.326 121.551 121.223 0.004 0.000 2.023 484 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 484 L C 2.715 179.539 176.870 -0.077 0.000 1.073 484 L CA 1.612 56.429 54.840 -0.038 0.000 0.745 484 L CB -1.009 41.022 42.059 -0.047 0.000 0.900 484 L HN 0.129 nan 8.230 nan 0.000 0.435 485 T N -3.062 111.431 114.554 -0.102 0.000 2.812 485 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 485 T C 1.673 176.361 174.700 -0.020 0.000 1.042 485 T CA 1.179 63.230 62.100 -0.080 0.000 1.140 485 T CB -0.389 68.435 68.868 -0.074 0.000 0.870 485 T HN 0.085 nan 8.240 nan 0.000 0.445 486 V N 0.940 120.684 119.914 -0.282 0.000 2.672 486 V HA 0.340 4.460 4.120 -0.000 0.000 0.242 486 V C 2.974 178.873 176.094 -0.325 0.000 1.059 486 V CA 1.059 63.082 62.300 -0.462 0.000 1.081 486 V CB -0.782 30.328 31.823 -1.189 0.000 0.752 486 V HN 0.608 nan 8.190 nan 0.000 0.472 487 G N 0.125 108.777 108.800 -0.248 0.000 2.411 487 G HA2 0.055 4.015 3.960 -0.000 0.000 0.213 487 G HA3 0.055 4.015 3.960 -0.000 0.000 0.213 487 G C 1.437 176.306 174.900 -0.051 0.000 1.166 487 G CA 0.932 45.985 45.100 -0.078 0.000 0.802 487 G HN 0.536 nan 8.290 nan 0.000 0.533 488 G N -0.074 108.697 108.800 -0.049 0.000 2.654 488 G HA2 0.364 4.324 3.960 -0.000 0.000 0.215 488 G HA3 0.364 4.324 3.960 -0.000 0.000 0.215 488 G C 1.022 175.904 174.900 -0.031 0.000 1.310 488 G CA 1.300 46.380 45.100 -0.033 0.000 0.866 488 G HN 1.446 nan 8.290 nan 0.000 0.558 489 G N -1.234 107.549 108.800 -0.028 0.000 3.034 489 G HA2 0.036 3.996 3.960 -0.000 0.000 0.222 489 G HA3 0.036 3.996 3.960 -0.000 0.000 0.222 489 G C 0.018 174.915 174.900 -0.006 0.000 0.980 489 G CA -0.585 44.514 45.100 -0.002 0.000 1.008 489 G HN 0.501 nan 8.290 nan 0.000 0.632 490 R N 0.302 120.771 120.500 -0.050 0.000 2.368 490 R HA 0.520 4.860 4.340 -0.000 0.000 0.302 490 R C -0.127 176.034 176.300 -0.231 0.000 1.002 490 R CA -0.844 55.196 56.100 -0.100 0.000 0.929 490 R CB 1.038 31.271 30.300 -0.112 0.000 1.073 490 R HN 0.376 nan 8.270 nan 0.000 0.464 491 H N 3.693 122.554 119.070 -0.347 0.000 2.732 491 H HA 0.077 4.633 4.556 -0.000 0.000 0.351 491 H C -1.619 173.250 175.328 -0.765 0.000 1.090 491 H CA -1.377 54.283 56.048 -0.646 0.000 1.431 491 H CB 1.259 30.766 29.762 -0.426 0.000 1.447 491 H HN 0.338 nan 8.280 nan 0.000 0.582 492 P HA -0.244 nan 4.420 nan 0.000 0.217 492 P C 1.407 178.289 177.300 -0.697 0.000 1.151 492 P CA 2.262 64.583 63.100 -1.298 0.000 0.849 492 P CB 0.083 30.338 31.700 -2.408 0.000 0.787 493 S N -0.253 115.221 115.700 -0.376 0.000 2.399 493 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 493 S C 1.564 176.141 174.600 -0.038 0.000 1.022 493 S CA 1.147 59.361 58.200 0.023 0.000 0.983 493 S CB -1.196 62.134 63.200 0.216 0.000 0.803 493 S HN 0.296 nan 8.310 nan 0.000 0.480 494 E N 0.938 121.086 120.200 -0.087 0.000 2.463 494 E HA 0.178 4.528 4.350 -0.000 0.000 0.191 494 E C -0.723 175.820 176.600 -0.094 0.000 1.083 494 E CA -0.122 56.232 56.400 -0.077 0.000 0.872 494 E CB 0.241 29.897 29.700 -0.073 0.000 0.966 494 E HN 0.363 nan 8.360 nan 0.000 0.491 495 V N 1.604 121.443 119.914 -0.125 0.000 2.417 495 V HA 0.122 4.242 4.120 -0.000 0.000 0.291 495 V C -0.435 175.625 176.094 -0.057 0.000 1.024 495 V CA -1.001 61.236 62.300 -0.105 0.000 0.861 495 V CB 1.652 33.380 31.823 -0.159 0.000 0.985 495 V HN -0.016 nan 8.190 nan 0.000 0.436 496 D N 3.165 123.547 120.400 -0.031 0.000 2.479 496 D HA 0.231 4.871 4.640 -0.000 0.000 0.218 496 D C 1.279 177.583 176.300 0.008 0.000 1.131 496 D CA -0.043 53.954 54.000 -0.005 0.000 0.916 496 D CB 1.306 42.105 40.800 -0.001 0.000 1.022 496 D HN 0.559 nan 8.370 nan 0.000 0.515 497 T N 2.070 116.633 114.554 0.014 0.000 2.759 497 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 497 T C 1.155 175.897 174.700 0.070 0.000 1.042 497 T CA 1.069 63.189 62.100 0.033 0.000 1.140 497 T CB -0.045 68.839 68.868 0.025 0.000 0.864 497 T HN 0.466 nan 8.240 nan 0.000 0.455 498 D N 1.111 121.559 120.400 0.079 0.000 2.123 498 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 498 D C 2.031 178.392 176.300 0.101 0.000 0.992 498 D CA 1.026 55.104 54.000 0.131 0.000 0.833 498 D CB -0.382 40.487 40.800 0.114 0.000 0.954 498 D HN 0.401 nan 8.370 nan 0.000 0.455 499 D N 0.772 121.202 120.400 0.049 0.000 2.144 499 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 499 D C 2.176 178.494 176.300 0.031 0.000 0.978 499 D CA 0.527 54.539 54.000 0.021 0.000 0.833 499 D CB 0.308 41.113 40.800 0.008 0.000 0.961 499 D HN -0.003 nan 8.370 nan 0.000 0.470 500 V N 0.737 120.678 119.914 0.045 0.000 2.343 500 V HA -0.216 3.903 4.120 -0.000 0.000 0.247 500 V C 2.835 178.977 176.094 0.079 0.000 1.051 500 V CA 1.100 63.431 62.300 0.052 0.000 1.036 500 V CB -0.452 31.402 31.823 0.052 0.000 0.654 500 V HN 0.097 nan 8.190 nan 0.000 0.451 501 V N -0.153 119.835 119.914 0.124 0.000 2.295 501 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 501 V C 2.593 178.776 176.094 0.149 0.000 1.049 501 V CA 2.095 64.503 62.300 0.181 0.000 1.024 501 V CB -0.790 31.204 31.823 0.284 0.000 0.648 501 V HN 0.457 nan 8.190 nan 0.000 0.447 502 R N -0.006 120.539 120.500 0.075 0.000 2.082 502 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 502 R C 2.701 178.988 176.300 -0.021 0.000 1.136 502 R CA 1.796 57.860 56.100 -0.060 0.000 0.935 502 R CB -0.852 29.370 30.300 -0.131 0.000 0.842 502 R HN 0.461 nan 8.270 nan 0.000 0.430 503 S N 0.150 115.848 115.700 -0.004 0.000 2.392 503 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 503 S C 1.915 176.520 174.600 0.008 0.000 1.041 503 S CA 1.539 59.739 58.200 -0.000 0.000 1.026 503 S CB -0.109 63.095 63.200 0.007 0.000 0.845 503 S HN 0.158 nan 8.310 nan 0.000 0.465 504 V N 1.455 121.383 119.914 0.023 0.000 2.446 504 V HA 0.050 4.170 4.120 -0.000 0.000 0.244 504 V C 2.801 178.905 176.094 0.017 0.000 1.039 504 V CA 1.347 63.661 62.300 0.023 0.000 1.045 504 V CB -1.277 30.567 31.823 0.036 0.000 0.681 504 V HN 0.577 nan 8.190 nan 0.000 0.459 505 A N -0.276 122.561 122.820 0.028 0.000 1.948 505 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 505 A C 1.520 179.107 177.584 0.005 0.000 1.177 505 A CA 1.865 53.917 52.037 0.026 0.000 0.636 505 A CB -0.525 18.508 19.000 0.054 0.000 0.815 505 A HN 0.530 nan 8.150 nan 0.000 0.449 506 D N -0.164 120.232 120.400 -0.006 0.000 3.008 506 D HA 0.210 4.850 4.640 -0.000 0.000 0.242 506 D C 0.465 176.762 176.300 -0.006 0.000 1.222 506 D CA 0.344 54.337 54.000 -0.011 0.000 0.883 506 D CB -0.160 40.628 40.800 -0.021 0.000 1.110 506 D HN 0.439 nan 8.370 nan 0.000 0.455 507 R N 0.000 120.499 120.500 -0.002 0.000 2.786 507 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 507 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 507 R CB 0.000 30.300 30.300 0.001 0.000 0.687 507 R HN 0.000 nan 8.270 nan 0.000 0.535